Jagannath Mondal, Ph.D - Publications

Affiliations: 
Chemistry Columbia University, New York, NY 
Area:
Computer simulations

27 high-probability publications. We are testing a new system for linking publications to authors. You can help! If you notice any inaccuracies, please sign in and mark papers as correct or incorrect matches. If you identify any major omissions or other inaccuracies in the publication list, please let us know.

Year Citation  Score
2019 Koneru JK, Zhu X, Mondal J. A Quantitative Assessment of the Conformational Heterogeneity in Amylose across Force Fields. Journal of Chemical Theory and Computation. PMID 31560849 DOI: 10.1021/acs.jctc.9b00630  0.32
2019 Shahriar SMS, Mondal J, Hasan MN, Revuri V, Lee DY, Lee YK. Electrospinning Nanofibers for Therapeutics Delivery. Nanomaterials (Basel, Switzerland). 9. PMID 30987129 DOI: 10.3390/nano9040532  0.52
2018 Lyu Y, Xiang N, Mondal J, Zhu X, Narsimhan G. Characterization of Interaction Between Curcumin and Different Types of Lipid Bilayers by Molecular Dynamics Simulation. The Journal of Physical Chemistry. B. PMID 29394060 DOI: 10.1021/acs.jpcb.7b10566  0.32
2017 Tiwary P, Mondal J, Berne BJ. How and when does an anticancer drug leave its binding site? Science Advances. 3: e1700014. PMID 28580424 DOI: 10.1126/sciadv.1700014  1
2017 Berkovich R, Mondal J, Paster I, Berne BJ. Simulated Force Quench Dynamics Shows GB1 Protein is Not a Two State Folder. The Journal of Physical Chemistry. B. PMID 28453938 DOI: 10.1021/acs.jpcb.7b00610  1
2016 Mondal J, Tiwary P, Berne BJ. How a kinase inhibitor withstands Gatekeeper residue mutations. Journal of the American Chemical Society. PMID 26954686 DOI: 10.1021/jacs.6b01232  1
2016 Roy S, Skoff D, Perroni DV, Mondal J, Yethiraj A, Mahanthappa M, Zanni M, Skinner JL. Water Dynamics in Gyroid Phases of Self-Assembled Gemini Surfactants. Journal of the American Chemical Society. PMID 26875689 DOI: 10.1021/jacs.5b12370  1
2015 Tiwary P, Mondal J, Morrone JA, Berne BJ. Role of water and steric constraints in the kinetics of cavity-ligand unbinding. Proceedings of the National Academy of Sciences of the United States of America. PMID 26371312 DOI: 10.1073/pnas.1516652112  1
2015 Mondal J, Halverson D, Li IT, Stirnemann G, Walker GC, Berne BJ. How osmolytes influence hydrophobic polymer conformations: A unified view from experiment and theory. Proceedings of the National Academy of Sciences of the United States of America. 112: 9270-5. PMID 26170324 DOI: 10.1073/pnas.1511780112  1
2015 Ghosh P, Mondal J, Ben-Jacob E, Levine H. Mechanically-driven phase separation in a growing bacterial colony. Proceedings of the National Academy of Sciences of the United States of America. 112: E2166-73. PMID 25870260 DOI: 10.1073/pnas.1504948112  1
2015 Mondal J, Halverson D, Li ITS, Stirnemann G, Walker GC, Berne BJ. How osmolytes influence hydrophobic polymer conformations: A unified view from experiment and theory Proceedings of the National Academy of Sciences of the United States of America. 112: 9270-9275. DOI: 10.1073/pnas.1511780112  1
2015 Sen C, Roy S, Mondal TK, Ghosh R, Mondal JA, Palit DK, Sinha C. Palladium II-iodo-{1-alkyl-2-arylazo imidazole} complexes: Synthesis, structure, dynamics of photochromism and DFT computation Polyhedron. 85: 900-911. DOI: 10.1016/j.poly.2014.09.033  0.48
2014 Mondal J, Friesner RA, Berne BJ. Role of Desolvation in Thermodynamics and Kinetics of Ligand Binding to a Kinase. Journal of Chemical Theory and Computation. 10: 5696-5705. PMID 25516727 DOI: 10.1021/ct500584n  1
2014 Bakshi S, Choi H, Mondal J, Weisshaar JC. Time-dependent effects of transcription- and translation-halting drugs on the spatial distributions of the Escherichia coli chromosome and ribosomes. Molecular Microbiology. 94: 871-87. PMID 25250841 DOI: 10.1111/mmi.12805  1
2014 Choi E, Mondal J, Yethiraj A. Coarse-grained models for aqueous polyethylene glycol solutions. The Journal of Physical Chemistry. B. 118: 323-9. PMID 24350686 DOI: 10.1021/jp408392b  1
2014 Mondal J, Choi E, Yethiraj A. Atomistic simulations of poly(ethylene oxide) in water and an ionic liquid at room temperature Macromolecules. 47: 438-446. DOI: 10.1021/ma4016714  1
2013 Mondal J, Morrone JA, Berne BJ. How hydrophobic drying forces impact the kinetics of molecular recognition. Proceedings of the National Academy of Sciences of the United States of America. 110: 13277-82. PMID 23901110 DOI: 10.1073/pnas.1312529110  1
2013 Mondal J, Stirnemann G, Berne BJ. When does trimethylamine N-oxide fold a polymer chain and urea unfold it? The Journal of Physical Chemistry. B. 117: 8723-32. PMID 23800089 DOI: 10.1021/jp405609j  1
2013 Mondal J, Mahanthappa M, Yethiraj A. Self-assembly of gemini surfactants: a computer simulation study. The Journal of Physical Chemistry. B. 117: 4254-62. PMID 22967267 DOI: 10.1021/jp304933k  1
2012 Mondal J, Yethiraj A. Effect of secondary structure on the self-assembly of amphiphilic molecules: a multiscale simulation study. The Journal of Chemical Physics. 136: 084902. PMID 22380061 DOI: 10.1063/1.3689298  1
2012 Mondal J, Zhu X, Cui Q, Yethiraj A. Sequence-dependent pKa shift induced by molecular self-assembly: insights from computer simulation. The Journal of Physical Chemistry. B. 116: 491-5. PMID 22121949 DOI: 10.1021/jp2071953  1
2011 Mondal J, Bratton BP, Li Y, Yethiraj A, Weisshaar JC. Entropy-based mechanism of ribosome-nucleoid segregation in E. coli cells. Biophysical Journal. 100: 2605-13. PMID 21641305 DOI: 10.1016/j.bpj.2011.04.030  1
2010 Mondal J, Zhu X, Cui Q, Yethiraj A. Sequence-dependent interaction of β-peptides with membranes. The Journal of Physical Chemistry. B. 114: 13585-92. PMID 20882985 DOI: 10.1021/jp1070242  1
2010 Mondal J, Sung BJ, Yethiraj A. Sequence dependent self-assembly of beta-peptides: Insights from a coarse-grained model. The Journal of Chemical Physics. 132: 065103. PMID 20151759 DOI: 10.1063/1.3314309  1
2010 Mondal J, Zhu X, Cui Q, Yethiraj A. Self-assembly of β-Peptides: Insight from the pair and many-body free energy of association Journal of Physical Chemistry C. 114: 13551-13556. DOI: 10.1021/jp1040772  1
2009 Mondal J, Sung BJ, Yethiraj A. Sequence-directed organization of beta-peptides in self-assembled monolayers. The Journal of Physical Chemistry. B. 113: 9379-85. PMID 19545127 DOI: 10.1021/jp903341u  1
2007 Sharma V, Bapat B, Mondal J, Hochlaf M, Giri K, Sathyamurthy N. Dissociative double ionization of CO2: dynamics, energy levels, and lifetime. The Journal of Physical Chemistry. A. 111: 10205-11. PMID 17497762 DOI: 10.1021/jp070257k  1
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