R. Vaiwala

Differentiating interactions of antimicrobials with Gram-negative and Gram-positive bacterial cell walls using molecular dynamics simulations

This study uses molecular dynamics simulations to compare antimicrobial interactions with Gram-negative and Gram-positive bacterial cell walls, finding differences in binding depth and translocation properties.

A Generic Force Field for Simulating Native Protein Structures Using Dissipative Particle Dynamics

This paper develops a generic force field for simulating native protein structures using dissipative particle dynamics, validated on model peptides and proteins.

Developing a Coarse-Grained Model for Bacterial Cell Walls and Evaluating Mechanical Properties and Free Energy Barriers

This paper develops a coarse-grained MARTINI model for peptidoglycan and evaluates its mechanical properties and free energy barriers for small molecule insertion.