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Journal of Chemical Theory and Computation|September 7, 2023
Martini-3 Coarse-Grained Models for the Bacterial Lipopolysaccharide Outer Membrane of Escherichia coliRakesh Vaiwala, K Ganapathy Ayappa
Soft Matter|October 15, 2021
A generic force field for simulating native protein structures using dissipative particle dynamicsRakesh Vaiwala, K Ganapathy Ayappa
Journal of Chemical Theory and Computation|August 21, 2019
Establishing an Electrostatics Paradigm for Membrane Electroporation in the Framework of Dissipative Particle DynamicsRakesh Vaiwala, Sameer Jadhav, Rochish Thaokar
The Journal of Chemical Physics|April 8, 2017
Electrostatic interactions in dissipative particle dynamics-Ewald-like formalism, error analysis, and pressure computationRakesh Vaiwala, Sameer Jadhav, Rochish Thaokar
Journal of Chemical Theory and Computation|December 12, 2018
Electroporation Using Dissipative Particle Dynamics with a Novel Protocol for Applying Electric FieldRakesh Vaiwala, Sameer Jadhav, Rochish Thaokar
Biointerphases|December 13, 2022
Differentiating interactions of antimicrobials with Gram-negative and Gram-positive bacterial cell walls using molecular dynamics simulationsRakesh Vaiwala, Pradyumn Sharma, K Ganapathy Ayappa
Langmuir : the ACS Journal of Surfaces and Colloids|February 13, 2026
Preservative Kinetics and Influence of Surfactants on Gram-Negative Bacterial Membrane PartitioningRajalakshmi Chockalingam, Rakesh Vaiwala, Nivedita Patil, et al.
Journal of Chemical Theory and Computation|July 7, 2020
Developing a Coarse-Grained Model for Bacterial Cell Walls: Evaluating Mechanical Properties and Free Energy BarriersRakesh Vaiwala, Pradyumn Sharma, Mrinalini Puranik, et al.
Langmuir : the ACS Journal of Surfaces and Colloids|March 7, 2024
Structure of the Bacterial Cell Envelope and Interactions with Antimicrobials: Insights from Molecular Dynamics SimulationsPradyumn Sharma, Rakesh Vaiwala, Amar Krishna Gopinath, et al.
Langmuir : the ACS Journal of Surfaces and Colloids|December 6, 2022
Interactions of Surfactants with the Bacterial Cell Wall and Inner Membrane: Revealing the Link between Aggregation and Antimicrobial ActivityPradyumn Sharma, Rakesh Vaiwala, Srividhya Parthasarathi, et al.
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