Preprint(s)
4. Tzu-Hsuan Chao, Shiv Rekhi, Jeetain Mittal, Daniel P Tabor.
Data-driven models for predicting intrinsically disordered protein polymer physics directly from composition or sequence. doi
ChemRxiv (2023).
3. Rachel M Welles, Kandarp A Sojitra, Mikael V Garabedian, Boao Xia, Roshan M Regy, Elizabeth R Gallagher, Jeetain Mittal, Matthew C Good.
Determinants of disordered protein co-assembly into discrete condensed phases. doi
bioRxiv (2023).
2. Shiv Rekhi, Cristobal Garcia Garcia, Mayur Barai, Azamat Rizuan, Benjamin S Schuster, Kristi L Kiick, Jeetain Mittal.
Expanding the molecular language of protein liquid-liquid phase separation. doi
bioRxiv (2023).
1. Priyesh Mohanty, Jayakrishna Shenoy, Azamat Rizuan, José F Mercado Ortiz, Nicolas L. Fawzi, Jeetain Mittal.
Aliphatic residues contribute significantly to the phase separation of TDP-43 C-terminal domain. doi
bioRxiv (2022).
2023
132. Shiv Rekhi, Dinesh Sundaravadivelu Devarajan, Michael P Howard, Young C Kim, Arash Nikoubashman, Jeetain Mittal.
Role of strong localized vs. weak distributed interactions in disordered protein phase separation. doi
The Journal of Physical Chemistry B (2023).
2022
131. Cheenou Her, Tien M Phan, Nina Jovic, Utkarsh Kapoor, Bryce E Ackermann, Azamat Rizuan, Young C Kim, Jeetain Mittal, Galia T Debelouchina.
Molecular interactions underlying the phase separation of HP1⍺: Role of phosphorylation, ligand and nucleic acid binding. doi
Nucleic Acids Research, 50, 12702-12722 (2022).
130. Bidisha Das, Sumangal Roychowdhury, Priyesh Mohanty, Azamat Rizuan, Jeetain Mittal, Krishnananda Chattopadhyay.
Zn-dependent structural transition of SOD1 modulates its ability to undergo liquid-liquid phase separation. doi
The EMBO Journal, 42, e111185 (2022).
129. Dinesh Sundaravadivelu Devarajan, Shiv Rekhi, Arash Nikoubashman, Young C Kim, Michael P Howard, Jeetain Mittal.
Effect of charge distribution on the dynamics of polyampholytic disordered proteins. doi
Macromolecules, 55, 8987-8997 (2022).
128. Azamat Rizuan, Nina Jovic, Tien Minh Phan, Young C Kim, Jeetain Mittal.
Developing bonded potentials for a coarse-grained model of intrinsically disordered proteins. doi
Journal of Chemical Information and Modeling, 62, 4474-4485 (2022).
127. Runfang Mao, Jared O’Leary, Ali Mesbah, Jeetain Mittal.
A deep learning framework discovers compositional order and self-assembly pathways in binary colloidal mixtures. doi
JACS Au, 2, 1818-1828 (2022).
126. Priyesh Mohanty, Utkarsh Kapoor, Dinesh Sundaravadivelu Devarajan, Tien Minh Phan, Azamat Rizuan, Jeetain Mittal.
Principles governing the phase separation of multidomain proteins. doi
Biochemistry, 61, 2443-2455 (2022).
125. Allen P Liu, Eric A Appel, Paul D Ashby, Brendon M Baker, Elisa Franco, Luo Gu, Karmella Haynes, Neel S Joshi, April M Kloxin, Paul HJ Kouwer, Jeetain Mittal, Leonardo Morsut, Vincent Noireaux, Sapun Parekh, Rebecca Schulman, Sindy KY Tang, Megan T Valentine, Sebastián L Vega, Wilfried Weber, Nicholas Stephanopoulos, Ovijit Chaudhuri.
The living interface between synthetic biology and biomaterial design. doi
Nature Materials, 21, 390–397 (2022).
124. Sayantan Chatterjee, Yelena Kan, Mateusz Brzezinski, Kaloian Koynov, Roshan Mammen Regy, Anastasia C Murthy, Kathleen A Burke, Jasper J Michels, Jeetain Mittal, Nicolas L Fawzi, Sapun H Parekh.
Reversible kinetic trapping of FUS biomolecular condensates. doi
Advanced Science, 9, 2104247 (2022).
2021
123. Fleurie M Kelley, Bruna Favetta, Roshan Mammen Regy, Jeetain Mittal, Benjamin S Schuster.
Amphiphilic proteins coassemble into multiphasic condensates and act as biomolecular surfactants. doi
Proceedings of the National Academy of Sciences, 118, e2109967118 (2021).
122. Anastasia C Murthy, Wai Shing Tang, Nina Jovic, Abigail M Janke, Da Hee Seo, Theodora Myrto Perdikari, Jeetain Mittal, Nicolas L Fawzi.
Molecular interactions contributing to FUS SYGQ LC-RGG phase separation and co-partitioning with RNA polymerase II heptads. doi
Nature Structural & Molecular Biology, 28, 923-935 (2021).
121. Nicolas L Fawzi, Sapun H Parekh, Jeetain Mittal.
Biophysical studies of phase separation integrating experimental and computational methods. doi
Current Opinion in Structural Biology, 70, 78-86 (2021).
120. Roshan Mammen Regy, Jacob Thompson, Young C Kim, Jeetain Mittal.
Improved coarse‐grained model for studying sequence dependent phase separation of disordered proteins. doi
Protein Science, 30, 1371-1379 (2021).
119. Anna S Bock, Anastasia C Murthy, Wai Shing Tang, Nina Jovic, Frank Shewmaker, Jeetain Mittal, Nicolas L Fawzi.
N‐terminal acetylation modestly enhances phase separation and reduces aggregation of the low‐complexity domain of RNA‐binding protein fused in sarcoma. doi
Protein Science, 30, 1337-1349 (2021).
118. Runfang Mao, Evan Pretti, Jeetain Mittal.
Temperature-controlled reconfigurable nanoparticle binary superlattices. doi
ACS Nano, 15, 8466-8473 (2021).
117. Theodora Myrto Perdikari, Nina Jovic, Gregory L Dignon, Young C Kim, Nicolas L Fawzi, Jeetain Mittal.
A predictive coarse-grained model for position-specific effects of post-translational modifications. doi
Biophysical Journal, 120, 1187-1197 (2021).
116. Joan-Emma Shea, Robert B Best, Jeetain Mittal.
Physics-based computational and theoretical approaches to intrinsically disordered proteins. doi
Current Opinion in Structural Biology, 67, 219-225 (2021).
115. Benjamin S Schuster, Roshan Mammen Regy, Elliott M Dolan, Aishwarya Kanchi Ranganath, Nina Jovic, Sagar D Khare, Zheng Shi, Jeetain Mittal.
Biomolecular condensates: Sequence determinants of phase separation, microstructural organization, enzymatic activity, and material properties. doi
The Journal of Physical Chemistry B,125, 3441-3451 (2021).
114. Veronica H Ryan, Theodora M Perdikari, Mandar T Naik, Camillo F Saueressig, Jeremy Lins, Gregory L Dignon, Jeetain Mittal, Anne C Hart, Nicolas L Fawzi.
Tyrosine phosphorylation regulates hnRNPA2 granule protein partitioning and reduces neurodegeneration. doi
The EMBO Journal, 40, e105001 (2021).
113. Cristobal Garcia Garcia, Sai S Patkar, Nina Jovic, Jeetain Mittal, Kristi L Kiick.
Alteration of microstructure in biopolymeric hydrogels via compositional modification of resilin-like polypeptides. doi
ACS Biomaterials Science & Engineering, 7, 4244-4257 (2021).
112. Jared O’Leary, Runfang Mao, Evan J Pretti, Joel A Paulson, Jeetain Mittal, Ali Mesbah.
Deep learning for characterizing the self-assembly of three-dimensional colloidal systems. doi
Soft Matter, 17, 989-999 (2021).
111. Roshan Mammen Regy, Wenwei Zheng, Jeetain Mittal.
Using a sequence-specific coarse-grained model for studying protein liquid–liquid phase separation. doi
Methods in Enzymology, 646, 1-17 (2021).
2020
110. Roshan Mammen Regy, Gregory L Dignon, Wenwei Zheng, Young C Kim, Jeetain Mittal.
Sequence dependent phase separation of protein-polynucleotide mixtures elucidated using molecular simulations. doi
Nucleic Acids Research, 48, 12593-12603 (2020).
109. Wenwei Zheng, Gregory L Dignon, Nina Jovic, Xichen Xu, Roshan M Regy, Nicolas L Fawzi, Young C Kim, Robert B Best, Jeetain Mittal.
Molecular details of protein condensates probed by microsecond long atomistic simulations. doi
The Journal of Physical Chemistry B, 124, 11671-11679 (2020).
108. Runfang Mao, Jeetain Mittal.
Self-assembly of DNA-functionalized nanoparticles guided by binding kinetics. doi
The Journal of Physical Chemistry B, 124, 11593-11599 (2020).
107. Wai Shing Tang, Nicolas L Fawzi, Jeetain Mittal.
Refining all-atom protein force fields for polar-rich, prion-like, low-complexity intrinsically disordered proteins. doi
The Journal of Physical Chemistry B, 124, 9505-9512 (2020).
106. Roshan Mammen Regy, Jeetain Mittal.
Living cells as test tubes. doi
Nature Chemical Biology, 16, 934-935 (2020).
105. Christopher Rzepa, Daniel W Siderius, Harold W Hatch, Vincent K Shen, Srinivas Rangarajan, Jeetain Mittal.
Computational investigation of correlations in adsorbate entropy for pure-silica zeolite adsorbents. doi
The Journal of Physical Chemistry C, 124, 16350-16361 (2020).
104. Benjamin S Schuster, Gregory L Dignon, Wai Shing Tang, Fleurie M Kelley, Aishwarya Kanchi Ranganath, Craig N Jahnke, Alison G Simpkins, Roshan Mammen Regy, Daniel A Hammer, Matthew C Good, Jeetain Mittal.
Identifying sequence perturbations to an intrinsically disordered protein that determine its phase-separation behavior. doi
Proceedings of the National Academy of Sciences, 117, 11421-11431 (2020).
103. Gregory L Dignon, Robert B Best, Jeetain Mittal.
Biomolecular phase separation: From molecular driving forces to macroscopic properties. doi
Annual Review of Physical Chemistry, 71, 53-75 (2020).
102. Wenwei Zheng, Gregory Dignon, Matthew Brown, Young C Kim, Jeetain Mittal.
Hydropathy patterning complements charge patterning to describe conformational preferences of disordered proteins. doi
The Journal of Physical Chemistry Letters, 11, 3408-3415 (2020).
101. Alexander E Conicella, Gregory L Dignon, Gül H Zerze, Hermann Broder Schmidt, Alexandra M D’Ordine, Young C Kim, Rajat Rohatgi, Yuna M Ayala, Jeetain Mittal, Nicolas L Fawzi.
TDP-43 α-helical structure tunes liquid–liquid phase separation and function. doi
Proceedings of the National Academy of Sciences, 117, 5883-5894 (2020).
100. Evan Pretti, Vincent K Shen, Jeetain Mittal, Nathan A Mahynski.
Symmetry-based crystal structure enumeration in two dimensions. doi
The Journal of Physical Chemistry A, 124, 3276-3285 (2020).
99. Lata Rani, Jeetain Mittal, Sairam S Mallajosyula.
Effect of phosphorylation and O-GlcNAcylation on proline-rich domains of Tau. doi
The Journal of Physical Chemistry B, 124, 1909-1918 (2020).
98. Nathan A Mahynski, Runfang Mao, Evan Pretti, Vincent K Shen, Jeetain Mittal.
Grand canonical inverse design of multicomponent colloidal crystals. doi
Soft Matter, 16, 3187-3194 (2020).
2019
97. Evan Pretti, Runfang Mao, Jeetain Mittal.
Modelling and simulation of DNA-mediated self-assembly for superlattice design. doi
Molecular Simulation, 45, 1203-1210 (2019).
96. Evan Pretti, Hasan Zerze, Minseok Song, Yajun Ding, Runfang Mao, Jeetain Mittal.
Size-dependent thermodynamic structural selection in colloidal crystallization. doi
Science Advances, 5, eaaw5912 (2019).
95. Evan Pretti, Jeetain Mittal.
Extension of the Einstein molecule method for solid free energy calculation to non-periodic and semi-periodic systems. doi
The Journal of Chemical Physics, 151, 054105 (2019).
94. Tanmoy Sanyal, Jeetain Mittal, M Scott Shell.
A hybrid, bottom-up, structurally accurate, Go-like coarse-grained protein model. doi
The Journal of Chemical Physics, 151, 044111 (2019).
93. Anastasia C Murthy, Gregory L Dignon, Yelena Kan, Gül H Zerze, Sapun H Parekh, Jeetain Mittal, Nicolas L Fawzi.
Molecular interactions underlying liquid−liquid phase separation of the FUS low-complexity domain. doi
Nature Structural & Molecular Biology, 26, 637 (2019).
92. Nathan A Mahynski, Evan Pretti, Vincent K Shen, Jeetain Mittal.
Using symmetry to elucidate the importance of stoichiometry in colloidal crystal assembly. doi
Nature Communications, 10, 1-11 (2019).
91. Gregory L Dignon, Wenwei Zheng, Young C Kim, Jeetain Mittal.
Temperature-controlled liquid–liquid phase separation of disordered proteins. doi
ACS Central Science, 5, 821-830 (2019).
90. Gül H Zerze, Wenwei Zheng, Robert B Best, Jeetain Mittal.
Evolution of all-atom protein force fields to improve local and global properties. doi
The Journal of Physical Chemistry Letters, 10, 2227-2234 (2019).
89. Gregory L Dignon, Wenwei Zheng, Jeetain Mittal.
Simulation methods for liquid–liquid phase separation of disordered proteins. doi
Current Opinion in Chemical Engineering, 23, 92-98 (2019).
88. T Ann Maula, Harold W Hatch, Vincent K Shen, Srinivas Rangarajan, Jeetain Mittal.
Designing molecular building blocks for the self-assembly of complex porous networks. doi
Molecular Systems Design & Engineering, 4, 644-653 (2019).
2018
87. Thomas V Galassi, Prakrit V Jena, Janki Shah, Geyou Ao, Elizabeth Molitor, Yaron Bram, Angela Frankel, Jiwoon Park, Jose Jessurun, Daniel S Ory, Adriana Haimovitz-Friedman, Daniel Roxbury, Jeetain Mittal, Ming Zheng, Robert E Schwartz, Daniel A Heller.
An optical nanoreporter of endolysosomal lipid accumulation reveals enduring effects of diet on hepatic macrophages in vivo. doi
Science Translational Medicine, 10, eaar2680 (2018).
86. Gregory L Dignon, Wenwei Zheng, Robert B Best, Young C Kim, Jeetain Mittal.
Relation between single-molecule properties and phase behavior of intrinsically disordered proteins. doi
Proceedings of the National Academy of Sciences, 115, 9929-9934 (2018).
85. Brandon G Horan, Gül H Zerze, Young C Kim, Dimitrios Vavylonis, Jeetain Mittal.
Computational modeling highlights the role of the disordered Formin Homology 1 domain in profilin‐actin transfer. doi
FEBS Letters, 592, 1804-1816 (2018).
84. Jackson D Harvey, Gül H Zerze, Kathryn M Tully, Jeetain Mittal, Daniel A Heller.
Electrostatic screening modulates analyte binding and emission of carbon nanotubes. doi
The Journal of Physical Chemistry C, 122, 10592-10599 (2018).
83. Wenwei Zheng, Gül H Zerze, Alessandro Borgia, Jeetain Mittal, Benjamin Schuler, Robert B Best.
Inferring properties of disordered chains from FRET transfer efficiencies. doi
The Journal of Chemical Physics, 148, 123329 (2018).
82. Payel Das, Silvina Matysiak, Jeetain Mittal.
Looking at the disordered proteins through the computational microscope. doi
ACS Central Science, 4, 534-542 (2018).
81. Veronica H Ryan, Gregory L Dignon, Gül H Zerze, Charlene V Chabata, Rute Silva, Alexander E Conicella, Joshua Amaya, Kathleen A Burke, Jeetain Mittal, Nicolas L Fawzi.
Mechanistic view of hnRNPA2 low-complexity domain structure, interactions, and phase separation altered by mutation and arginine methylation. doi
Molecular Cell, 69, 465-479 (2018).
80. Gregory L Dignon, Wenwei Zheng, Young C Kim, Robert B Best, Jeetain Mittal.
Sequence determinants of protein phase behavior from a coarse-grained model. doi
PLOS Computational Biology, 14, e1005941 (2018).
79. Minseok Song, Yajun Ding, Hasan Zerze, Mark A Snyder, Jeetain Mittal.
Binary superlattice design by controlling DNA-mediated interactions. doi
Langmuir, 34, 991-998 (2018).
78. Evan Pretti, Hasan Zerze, Minseok Song, Yajun Ding, Nathan A Mahynski, Harold W Hatch, Vincent K Shen, Jeetain Mittal.
Assembly of three-dimensional binary superlattices from multi-flavored particles. doi
Soft Matter, 14, 6303-6312 (2018).
2017
77. Zachary Monahan, Veronica H Ryan, Abigail M Janke, Kathleen A Burke, Shannon N Rhoads, Gül H Zerze, Robert O'Meally, Gregory L Dignon, Alexander E Conicella, Wenwei Zheng, Robert B Best, Robert N Cole, Jeetain Mittal, Frank Shewmaker, Nicolas L Fawzi.
Phosphorylation of the FUS low‐complexity domain disrupts phase separation, aggregation, and toxicity. doi
The EMBO Journal, 36, 2951-2967 (2017).
76. Abigail M Janke, Da Hee Seo, Vahid Rahmanian, Alexander E Conicella, Kaylee L Mathews, Kathleen A Burke, Jeetain Mittal, Nicolas L Fawzi.
Lysines in the RNA polymerase II C-terminal domain contribute to TAF15 fibril recruitment. doi
Biochemistry, 57, 2549-2563 (2017).
75. Prakrit V Jena, Daniel Roxbury, Thomas V Galassi, Leila Akkari, Christopher P Horoszko, David B Iaea, Januka Budhathoki-Uprety, Nina Pipalia, Abigail S Haka, Jackson D Harvey, Jeetain Mittal, Frederick R Maxfield, Johanna A Joyce, Daniel A Heller.
A carbon nanotube optical reporter maps endolysosomal lipid flux. doi
ACS Nano, 11, 10689-10703 (2017).
74. Gregory L Dignon, Gül H Zerze, Jeetain Mittal.
Interplay between membrane composition and structural stability of membrane-bound hIAPP. doi
The Journal of Physical Chemistry B, 121, 8661-8668 (2017).
73. Jackson D Harvey, Prakrit V Jena, Hanan A Baker, Gül H Zerze, Ryan M Williams, Thomas V Galassi, Daniel Roxbury, Jeetain Mittal, Daniel A Heller.
A carbon nanotube reporter of microRNA hybridization events in vivo. doi
Nature Biomedical Engineering, 1, 0041 (2017).
72. Nathan A Mahynski, Hasan Zerze, Harold W Hatch, Vincent K Shen, Jeetain Mittal.
Assembly of multi-flavored two-dimensional colloidal crystals. doi
Soft Matter, 13, 5397-5408 (2017).
2016
71. Minseok Song, Yajun Ding, Mark A Snyder, Jeetain Mittal.
Effect of nonionic surfactant on association/dissociation transition of DNA-functionalized colloids. doi
Langmuir, 32, 10017-10025 (2016).
70. Alexander E Conicella, Gül H Zerze, Jeetain Mittal, Nicolas L Fawzi.
ALS mutations disrupt phase separation mediated by α-helical structure in the TDP-43 low-complexity C-terminal domain. doi
Structure, 24, 1537-1549 (2016).
69. Cayla M Miller, Young C Kim, Jeetain Mittal.
Protein composition determines the effect of crowding on the properties of disordered proteins. doi
Biophysical Journal, 111, 28-37 (2016).
68. Zachary A Levine, Michael V Rapp, Wei Wei, Ryan Gotchy Mullen, Chun Wu, Gül H Zerze, Jeetain Mittal, J Herbert Waite, Jacob N Israelachvili, Joan-Emma Shea.
Surface force measurements and simulations of mussel-derived peptide adhesives on wet organic surfaces. doi
Proceedings of the National Academy of Sciences, 113, 4332-4337 (2016).
67. Gül H Zerze, Jeetain Mittal, Robert B Best.
Diffusive dynamics of contact formation in disordered polypeptides. doi
Physical Review Letters, 116, 068102 (2016).
66. Harold W Hatch, Seung-Yeob Yang, Jeetain Mittal, Vincent K Shen.
Self-assembly of trimer colloids: effect of shape and interaction range. doi
Soft Matter, 12, 4170-4179 (2016).
2015
65. Gül H Zerze, Jeetain Mittal.
Effect of O-linked glycosylation on the equilibrium structural ensemble of intrinsically disordered polypeptides. doi
The Journal of Physical Chemistry B, 119, 15583-15592 (2015).
64. Gül H Zerze, Robert B Best, Jeetain Mittal.
Sequence- and temperature-dependent properties of unfolded and disordered proteins from atomistic simulations. doi
The Journal of Physical Chemistry B, 119, 14622-14630 (2015).
63. Gül H Zerze, Ryan G Mullen, Zachary A Levine, Joan-Emma Shea, Jeetain Mittal.
To what extent does surface hydrophobicity dictate peptide folding and stability near surfaces? doi
Langmuir, 31, 12223-12230 (2015).
62. Gül H Zerze, Bilge Uz, Jeetain Mittal.
Folding thermodynamics of β‐hairpins studied by replica‐exchange molecular dynamics simulations. doi
Proteins: Structure, Function, and Bioinformatics, 83, 1307-1315 (2015).
61. Gül H Zerze, Cayla M Miller, Daniele Granata, Jeetain Mittal.
Free energy surface of an intrinsically disordered protein: comparison between temperature replica exchange molecular dynamics and bias-exchange metadynamics. doi
Journal of Chemical Theory and Computation, 11, 2776-2782 (2015).
60. Harold W Hatch, Jeetain Mittal, Vincent K Shen.
Computational study of trimer self-assembly and fluid phase behavior. doi
The Journal of Chemical Physics, 142, 164901 (2015).
59. Yajun Ding, Jeetain Mittal.
Equilibrium and nonequilibrium dynamics of soft sphere fluids. doi
Soft Matter, 11, 5274-5281 (2015).
2014
58. Robert B Best, Cayla Miller, Jeetain Mittal.
Role of solvation in pressure-induced helix stabilization. doi
The Journal of Chemical Physics, 141, 22D522 (2014).
57. Yajun Ding, Jeetain Mittal.
Insights into DNA-mediated interparticle interactions from a coarse-grained model. doi
The Journal of Chemical Physics, 141, 184901 (2014).
56. Ian Moskowitz, Mark A Snyder, Jeetain Mittal.
Water transport through functionalized nanotubes with tunable hydrophobicity. doi
The Journal of Chemical Physics, 141, 18C532 (2014).
55. Cayla M Miller, Angela C Brown, Jeetain Mittal.
Disorder in cholesterol-binding functionality of CRAC peptides: A molecular dynamics study. doi
The Journal of Physical Chemistry B, 118, 13169-13174 (2014).
54. Young C Kim, Apratim Bhattacharya, Jeetain Mittal.
Macromolecular crowding effects on coupled folding and binding. doi
The Journal of Physical Chemistry B, 118, 12621-12629 (2014).
53. Minseok Song, Mark A Snyder, Jeetain Mittal.
Effect of molecular structure on fluid transport through carbon nanotubes. doi
Molecular Physics, 112, 2658-2664 (2014).
52. Robert B Best, Wenwei Zheng, Jeetain Mittal.
Balanced protein–water interactions improve properties of disordered proteins and non-specific protein association. doi
Journal of Chemical Theory and Computation, 10, 5113-5124 (2014).
51. Gül H Zerze, Robert B Best, Jeetain Mittal.
Modest influence of FRET chromophores on the properties of unfolded proteins. doi
Biophysical Journal, 107, 1654-1660 (2014).
50. Sara Iliafar, Jeetain Mittal, Dmitri Vezenov, Anand Jagota.
Interaction of single-stranded DNA with curved carbon nanotube is much stronger than with flat graphite. doi
Journal of the American Chemical Society, 136, 12947-12957 (2014).
49. René Wuttke, Hagen Hofmann, Daniel Nettels, Madeleine B Borgia, Jeetain Mittal, Robert B Best, Benjamin Schuler.
Temperature-dependent solvation modulates the dimensions of disordered proteins. doi
Proceedings of the National Academy of Sciences, 111, 5213-5218 (2014).
48. Akshaya Shankar, Jeetain Mittal, Anand Jagota.
Binding between DNA and carbon nanotubes strongly depends upon sequence and chirality. doi
Langmuir, 30, 3176-3183 (2014).
2013
47. Daniel Roxbury, Shao-Qing Zhang, Jeetain Mittal, William F DeGrado, Anand Jagota.
Structural stability and binding strength of a designed peptide–carbon nanotube hybrid. doi
The Journal of Physical Chemistry C, 117, 26255-26261 (2013).
46. Cayla Miller, Gül H Zerze, Jeetain Mittal.
Molecular simulations indicate marked differences in the structure of amylin mutants, correlated with known aggregation propensity. doi
The Journal of Physical Chemistry B, 117, 16066-16075 (2013).
45. Hasan Zerze, Jeetain Mittal, Anthony J McHugh.
Ab Initio crystallization of alkanes: Structure and kinetics of nuclei formation. doi
Macromolecules, 46, 9151-9157 (2013).
44. Sanbo Qin, Jeetain Mittal, Huan-Xiang Zhou.
Folding free energy surfaces of three small proteins under crowding: Validation of the postprocessing method by direct simulation. doi
Physical Biology, 10, 045001 (2013).
43. Apratim Bhattacharya, Young C Kim, Jeetain Mittal.
Protein-protein interactions in a crowded environment. doi
Biophysical Reviews, 5, 99-108 (2013).
42. Young C Kim, Jeetain Mittal.
Crowding induced entropy-enthalpy compensation in protein association equilibria. doi
Physical Review Letters, 110, 208102 (2013).
41. David De Sancho, Jeetain Mittal, Robert B Best.
Folding kinetics and unfolded state dynamics of the GB1 hairpin from molecular simulation. doi
Journal of Chemical Theory and Computation, 9, 1743-1753 (2013).
40. Jeetain Mittal, Tae Hyeon Yoo, George Georgiou, Thomas M Truskett.
Structural ensemble of an intrinsically disordered polypeptide. doi
The Journal of Physical Chemistry B, 117, 118-124 (2013).
39. Daniel Roxbury, Anand Jagota, Jeetain Mittal.
Structural characteristics of oligomeric DNA strands adsorbed onto single-walled carbon nanotubes. doi
The Journal of Physical Chemistry B, 117, 132-140 (2013).
2012
38. Akshaya Shankar, Anand Jagota, Jeetain Mittal.
DNA base dimers are stabilized by hydrogen-bonding interactions including non-Watson–Crick pairing near graphite surfaces. doi
The Journal of Physical Chemistry B, 116, 12088-12094 (2012).
37. Robert B Best, Jeetain Mittal, Michael Feig, Alexander D MacKerell Jr.
Inclusion of many-body effects in the additive CHARMM protein CMAP potential results in enhanced cooperativity of α-helix and β-hairpin formation. doi
Biophysical Journal, 103, 1045-1051 (2012).
36. Apratim Bhattacharya, Robert B Best, Jeetain Mittal.
Smoothing of the GB1 hairpin folding landscape by interfacial confinement. doi
Biophysical Journal, 103, 596-600 (2012).
35. Robert B Best, Xiao Zhu, Jihyun Shim, Pedro EM Lopes, Jeetain Mittal, Michael Feig, Alexander D MacKerell Jr.
Optimization of the additive CHARMM all-atom protein force field targeting improved sampling of the backbone ϕ, ψ and side-chain χ1 and χ2 dihedral angle. doi
Journal of Chemical Theory and Computation, 8, 3257-3273 (2012).
34. Jeetain Mittal, Gerhard Hummer.
Pair diffusion, hydrodynamic interactions, and available volume in dense fluids. doi
The Journal of Chemical Physics, 137, 034110 (2012).
33. Robert B Best, David de Sancho, Jeetain Mittal.
Residue-specific α-helix propensities from molecular simulation. doi
Biophysical Journal, 102, 1462-1467 (2012).
32. Daniel Roxbury, Jeetain Mittal, Anand Jagota.
Molecular-basis of single-walled carbon nanotube recognition by single-stranded DNA. doi
Nano Letters, 12, 1464-1469 (2012).
2011
31. Matthew Melillo, Fangqiang Zhu, Mark A Snyder, Jeetain Mittal.
Water transport through nanotubes with varying interaction strength between tube wall and water. doi
The Journal of Physical Chemistry Letters, 2, 2978-2983 (2011).
30. Daniel Roxbury, Anand Jagota, Jeetain Mittal.
Sequence-specific self-stitching motif of short single-stranded DNA on a single-walled carbon nanotube. doi
Journal of the American Chemical Society, 133, 13545-13550 (2011).
29. Robert B Best, Jeetain Mittal.
Microscopic events in β-hairpin folding from alternative unfolded ensembles. doi
Proceedings of the National Academy of Sciences, 108, 11087-11092 (2011).
28. Robert B Best, Jeetain Mittal.
Free‐energy landscape of the GB1 hairpin in all‐atom explicit solvent simulations with different force fields: Similarities and differences. doi
Proteins: Structure, Function, and Bioinformatics, 79, 1318-1328 (2011).
27. Jonathan Rosen, Young C Kim, Jeetain Mittal.
Modest protein-crowder attractive interactions can counteract enhancement of protein association by intermolecular excluded volume interactions. doi
The Journal of Physical Chemistry B, 115, 2683-2689 (2011).
2010
26. Young C Kim, Robert B Best, Jeetain Mittal.
Macromolecular crowding effects on protein–protein binding affinity and specificity. doi
The Journal of Chemical Physics, 133, 205101-1-7 (2010).
25. Robert B Best, Jeetain Mittal.
Protein simulations with an optimized water model: Cooperative helix formation and temperature-induced unfolded state collapse. doi
The Journal of Physical Chemistry B, 114, 14916-14923 (2010).
24. Jeetain Mittal, Robert B Best.
Tackling force-field bias in protein folding simulations: Folding of Villin HP35 and Pin WW domains in explicit water. doi
Biophysical Journal, 99, L26-L28 (2010).
23. Robert B Best, Jeetain Mittal.
Balance between α and β structures in ab initio protein folding. doi
The Journal of Physical Chemistry B, 114, 8790-8798 (2010).
22. Jeetain Mittal, Robert B Best.
Dependence of protein folding stability and dynamics on the density and composition of macromolecular crowders. doi
Biophysical Journal, 98, 315-320 (2010).
21. Jeetain Mittal, Gerhard Hummer.
Interfacial thermodynamics of confined water near molecularly rough surfaces. doi
Faraday Discussions, 146, 341-352 (2010).
2009
20. Jeetain Mittal.
Using compressibility factor as a predictor of confined hard-sphere fluid dynamics. doi
The Journal of Physical Chemistry B, 113, 13800-13804 (2009).
19. Gaurav Goel, William P Krekelberg, Mark J Pond, Jeetain Mittal, Vincent K Shen, Jeffrey R Errington, Thomas M Truskett.
Available states and available space: Static properties that predict self-diffusivity of confined fluids. doi
Journal of Statistical Mechanics: Theory and Experiment, 2009, P04006 (2009).
18. William P Krekelberg, Tanuj Kumar, Jeetain Mittal, Jeffrey R Errington, Thomas M Truskett.
Anomalous structure and dynamics of the Gaussian-core fluid. doi
Physical Review E, 79, 031203 (2009).
2008
17. Jeetain Mittal, Robert B Best.
Thermodynamics and kinetics of protein folding under confinement. doi
Proceedings of the National Academy of Sciences, 105, 20233-20238 (2008).
16. Jeetain Mittal, Gerhard Hummer.
Static and dynamic correlations in water at hydrophobic interfaces. doi
Proceedings of the National Academy of Sciences, 105, 20130-20135 (2008).
15. Jeetain Mittal, Thomas M Truskett, Jeffrey R Errington, Gerhard Hummer.
Layering and position-dependent diffusive dynamics of confined fluids. doi
Physical Review Letters, 100, 145901 (2008).
14. William P Krekelberg, Jeetain Mittal, Venkat Ganesan, Thomas M Truskett.
Structural anomalies of fluids: Origins in second and higher coordination shells. doi
Physical Review E, 77, 041201 (2008).
2007
13. Jeetain Mittal, Vincent K Shen, Jeffrey R Errington, Thomas M Truskett.
Confinement, entropy, and single-particle dynamics of equilibrium hard-sphere mixtures. doi
The Journal of Chemical Physics, 127, 154513 (2007).
12. Jeetain Mittal, William P Krekelberg, Jeffrey R Errington, Thomas M Truskett.
Computing free volume, structural order, and entropy of liquids and glasses. doi
Reviews in Computational Chemistry, 25, 125-158 (2007).
11. Jeetain Mittal, Jeffrey R Errington, Thomas M Truskett.
Relationships between self-diffusivity, packing fraction, and excess entropy in simple bulk and confined fluids. doi
The Journal of Physical Chemistry B, 111, 10054-10063 (2007).
10. William P Krekelberg, Jeetain Mittal, Venkat Ganesan, Thomas M Truskett.
How short-range attractions impact the structural order, self-diffusivity, and viscosity of a fluid. doi
Journal of Chemical Physics, 127, 44502-44502 (2007).
9. Jeetain Mittal, Jeffrey R Errington, Thomas M Truskett.
Does confining the hard-sphere fluid between hard walls change its average properties? doi
Journal of Chemical Physics, 126, 244708-244708 (2007).
2006
8. Jeffrey R Errington, Thomas M Truskett, Jeetain Mittal.
Excess-entropy-based anomalies for a waterlike fluid. doi
Journal of Chemical Physics, 125, 244502-1-8 (2006).
7. Jeetain Mittal, Jeffrey R Errington, Thomas M Truskett.
Using available volume to predict fluid diffusivity in random media. doi
Physical Review E, 74, 040102 (2006).
6. Jeetain Mittal, Jeffrey R Errington, Thomas M Truskett.
Quantitative link between single-particle dynamics and static structure of supercooled liquids. doi
The Journal of Physical Chemistry B, 110, 18147-18150 (2006).
5. Jeetain Mittal, Jeffrey R Errington, Thomas M Truskett.
Relationship between thermodynamics and dynamics of supercooled liquids. doi
Journal of Chemical Physics, 125, 076102 (2006).
4. Jeetain Mittal, Jeffrey R Errington, Thomas M Trusket.
Thermodynamics predicts how confinement modifies the dynamics of the equilibrium hard-sphere fluid. doi
Physical Review Letters, 96, 177804 (2006).
2004
3. Jeetain Mittal, Pooja Shah, Thomas M Truskett.
Using energy landscapes to predict the properties of thin films. doi
The Journal of Physical Chemistry B, 108, 19769-19779 (2004).
2002
2. Ashutosh Sharma, Jeetain Mittal, Ruhi Verma.
Instability and dewetting of thin films induced by density variations. doi
Langmuir, 18, 10213-10220 (2002).
1. Ashutosh Sharma, Jeetain Mittal.
Instability of thin liquid films by density variations: A new mechanism that mimics spinodal dewetting. doi
Physical Review Letters, 89, 186101 (2002).