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Vaiwala, R and Ayappa, KG (2023) Martini-3 Coarse-Grained Models for the Bacterial Lipopolysaccharide Outer Membrane of Escherichia coli. In: Journal of Chemical Theory and Computation .
Sharma, P and Vaiwala, R and Parthasarathi, S and Patil, N and Verma, A and Waskar, M and Raut, JS and Basu, JK and Ayappa, KG (2022) Interactions of Surfactants with the Bacterial Cell Wall and Inner Membrane: Revealing the Link between Aggregation and Antimicrobial Activity. In: Langmuir, 38 (50). pp. 15714-15728.
Vaiwala, R and Ayappa, KG (2021) A generic force field for simulating native protein structures using dissipative particle dynamics. In: Soft Matter, 17 (42). pp. 9772-9785.
Vaiwala, R and Sharma, P and Puranik, M and Ayappa, KG (2020) Developing a Coarse-Grained Model for Bacterial Cell Walls: Evaluating Mechanical Properties and Free Energy Barriers. In: Journal of Chemical Theory and Computation, 16 (8). pp. 5369-5384.
