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Mangesh I. Chaudhari, Ph.D. - Publications

Affiliations: 
2014 Chemical and Biomolecular Engineering Tulane University School of Science and Engineering 
Area:
Chemical Engineering, Molecular Chemistry, Petroleum Engineering
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32 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
2021 Priest C, VanGordon MR, Rempe C, Chaudhari MI, Stevens MJ, Rick S, Rempe SB. Computing Potential of the Mean Force Profiles for Ion Permeation Through Channelrhodopsin Chimera, C1C2. Methods in Molecular Biology (Clifton, N.J.). 2191: 17-28. PMID 32865736 DOI: 10.1007/978-1-0716-0830-2_2  0.379
2020 Chaudhari MI, Vanegas JM, Pratt LR, Muralidharan A, Rempe SB. Hydration Mimicry by Membrane Ion Channels. Annual Review of Physical Chemistry. PMID 32155383 DOI: 10.1146/Annurev-Physchem-012320-015457  0.698
2019 Muralidharan A, Pratt L, Chaudhari M, Rempe S. Quasi-chemical theory for anion hydration and specific ion effects: Cl-(aq) vs. F-(aq) Chemical Physics Letters: X. 4: 100037. DOI: 10.1016/J.CPLETX.2019.100037  0.679
2018 Muralidharan A, Pratt LR, Chaudhari MI, Rempe SB. Quasi-Chemical Theory with Cluster Sampling from Ab Initio Molecular Dynamics: Fluoride (F) Anion Hydration. The Journal of Physical Chemistry. A. PMID 30475612 DOI: 10.1021/Acs.Jpca.8B08474  0.689
2018 Ma P, Cardenas AE, Chaudhari MI, Elber R, Rempe SB. Probing Translocation in Mutants of the Anthrax Channel: Atomically Detailed Simulations with Milestoning. The Journal of Physical Chemistry. B. PMID 30338689 DOI: 10.1021/Acs.Jpcb.8B08304  0.315
2018 Muralidharan A, Chaudhari MI, Pratt LR, Rempe SB. Molecular Dynamics of Lithium Ion Transport in a Model Solid Electrolyte Interphase. Scientific Reports. 8: 10736. PMID 30013026 DOI: 10.1038/S41598-018-28869-X  0.727
2018 Chaudhari MI, Rempe SB. Strontium and barium in aqueous solution and a potassium channel binding site. The Journal of Chemical Physics. 148: 222831. PMID 29907035 DOI: 10.1063/1.5023130  0.412
2018 Muralidharan A, Pratt LR, Chaudhari MI, Rempe SB. Comparison of single-ion molecular dynamics in common solvents. The Journal of Chemical Physics. 148: 222821. PMID 29907013 DOI: 10.1063/1.5023121  0.737
2018 Gao A, Tan L, Pratt LR, Chaudhari MI, Rempe SB, Asthagiri D, Weeks JD. The Role of Solute Attractive Forces in the Atomic-Scale Theory of Hydrophobic Effects. The Journal of Physical Chemistry. B. PMID 29767526 DOI: 10.1021/Acs.Jpcb.8B01711  0.757
2018 Muralidharan A, Pratt LR, Hoffman GG, Chaudhari MI, Rempe SB. Molecular Simulation Results on Charged Carbon Nanotube Forest-Based Supercapacitors. Chemsuschem. PMID 29722479 DOI: 10.1002/Cssc.201800323  0.702
2018 Chaudhari MI, Muralidharan A, Pratt LR, Rempe SB. Assessment of Simple Models for Molecular Simulation of Ethylene Carbonate and Propylene Carbonate as Solvents for Electrolyte Solutions. Topics in Current Chemistry (Cham). 376: 7. PMID 29435669 DOI: 10.1007/S41061-018-0187-2  0.762
2017 Tan L, Pratt LR, Chaudhari MI. Molecular-Scale Description of SPAN80 Desorption from a Squalane-Water Interface. The Journal of Physical Chemistry. B. PMID 29215284 DOI: 10.1021/Acs.Jpcb.7B10336  0.654
2017 Chaudhari MI, Rempe SB, Pratt LR. Quasi-chemical theory of F(-)(aq): The "no split occupancies rule" revisited. The Journal of Chemical Physics. 147: 161728. PMID 29096480 DOI: 10.1063/1.4986244  0.62
2017 Ma P, Cardenas AE, Chaudhari MI, Elber R, Rempe SB. The Impact of Protonation on Early Translocation of Anthrax Lethal Factor: Kinetics From Molecular Dynamics Simulations and Milestoning Theory. Journal of the American Chemical Society. PMID 29019235 DOI: 10.1021/Jacs.7B07419  0.345
2017 Muralidharan A, Chaudhari M, Rempe S, Pratt LR. Molecular Dynamics Simulations of Lithium Ion Transport through a Model Solid Electrolyte Interphase (SEI) Layer Ecs Transactions. 77: 1155-1162. DOI: 10.1149/07711.1155ECST  0.69
2017 Chaudhari MI, Pratt LR, Rempe SB. Utility of chemical computations in predicting solution free energies of metal ions Molecular Simulation. 44: 110-116. DOI: 10.1080/08927022.2017.1342127  0.657
2016 Chaudhari MI, Nair JR, Pratt LR, Soto FA, Balbuena PB, Rempe S. Scaling Atomic Partial Charges of Carbonate Solvents for Lithium ion (Li+) Solvation and Diffusion. Journal of Chemical Theory and Computation. PMID 27767309 DOI: 10.1021/Acs.Jctc.6B00824  0.676
2016 Pratt LR, Chaudhari MI, Rempe SB. Statistical Analyses of Hydrophobic Interactions: A Mini-Review. The Journal of Physical Chemistry. B. PMID 27258151 DOI: 10.1021/Acs.Jpcb.6B04082  0.63
2016 Chaudhari MI, Rempe SB, Asthagiri D, Tan L, Pratt LR. Molecular Theory and the Effects of Solute Attractive Forces on Hydrophobic Interactions. The Journal of Physical Chemistry. B. PMID 26694688 DOI: 10.1021/Acs.Jpcb.5B09552  0.761
2015 You X, Chaudhari MI, Rempe SB, Pratt LR. Dielectric Relaxation of Ethylene Carbonate and Propylene Carbonate from Molecular Dynamics Simulations. The Journal of Physical Chemistry. B. PMID 26599721 DOI: 10.1021/Acs.Jpcb.5B09561  0.72
2015 Chaudhari MI, Soniat M, Rempe SB. Correction to Octa-Coordination and the Aqueous Ba(2+) Ion. The Journal of Physical Chemistry. B. 119: 10807. PMID 26252169 DOI: 10.1021/Acs.Jpcb.5B06955  0.378
2015 You X, Chaudhari MI, Pratt LR, Pesika N, Aritakula KM, Rick SW. Erratum: "Interfaces of propylene carbonate" [J. Chem. Phys. 138, 114708 (2013)]. The Journal of Chemical Physics. 142: 249902. PMID 26133459 DOI: 10.1063/1.4923293  0.635
2015 Chaudhari MI, Soniat M, Rempe SB. Octa-Coordination and the Aqueous Ba(2+) Ion. The Journal of Physical Chemistry. B. 119: 8746-53. PMID 26085171 DOI: 10.1021/Acs.Jpcb.5B03050  0.444
2015 Chaudhari MI, Pratt LR, Paulaitis ME. Loop-Closure and Gaussian Models of Collective Structural Characteristics of Capped PEO Oligomers in Water. The Journal of Physical Chemistry. B. 119: 8863-7. PMID 25121580 DOI: 10.1021/Jp504244X  0.535
2015 Leung K, Chaudhari MI, Rempe SB, Fenton KR, Pratt HD, Staiger CL, Nagasubramanian G. Density functional theory and conductivity studies of boron-based anion receptors Journal of the Electrochemical Society. 162: A1927-A1934. DOI: 10.1149/2.1021509Jes  0.376
2015 You X, Chaudhari MI, Rempe SB, Pratt LR. Dielectric properties of ethylene carbonate and propylene carbonate using molecular dynamics simulations Ecs Transactions. 69: 107-111. DOI: 10.1149/06901.0107ecst  0.686
2014 Chaudhari MI, Pratt LR, Paulaitis ME. Concentration dependence of the Flory-Huggins interaction parameter in aqueous solutions of capped PEO chains. The Journal of Chemical Physics. 141: 244908. PMID 25554181 DOI: 10.1063/1.4904386  0.6
2014 Chaudhari MI, Sabo D, Pratt LR, Rempe SB. Hydration of Kr(aq) in Dilute and Concentrated Solutions. The Journal of Physical Chemistry. B. PMID 25309975 DOI: 10.1021/Jp508866H  0.603
2014 Chaudhari MI, Pratt LR. Microstructures of Capped Ethylene Oxide Oligomers in Water and N-Hexane Oil Spill Remediation: Colloid Chemistry-Based Principles and Solutions. 247-257. DOI: 10.1002/9781118825662.ch11  0.504
2013 Chaudhari MI, Holleran SA, Ashbaugh HS, Pratt LR. Molecular-scale hydrophobic interactions between hard-sphere reference solutes are attractive and endothermic. Proceedings of the National Academy of Sciences of the United States of America. 110: 20557-62. PMID 24297918 DOI: 10.1073/Pnas.1312458110  0.723
2013 You X, Chaudhari MI, Pratt LR, Pesika N, Aritakula KM, Rick SW. Interfaces of propylene carbonate. The Journal of Chemical Physics. 138: 114708. PMID 23534654 DOI: 10.1063/1.4794792  0.684
2010 Chaudhari MI, Pratt LR, Paulaitis ME. Communication: Direct observation of a hydrophobic bond in loop closure of a capped (-OCH2CH2-)n oligomer in water. The Journal of Chemical Physics. 133: 231102. PMID 21186848 DOI: 10.1063/1.3521484  0.571
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