Developing a Coarse-Grained Model for Bacterial Cell Walls and Evaluating Mechanical Properties and Free Energy Barriers
R. Vaiwala, P. Sharma, M. Puranik, K. G. Ayappa
This paper develops a coarse-grained MARTINI model for peptidoglycan and evaluates its mechanical properties and free energy barriers for small molecule insertion.
Journal of Chemical Theory and Computation · Jul 6, 2020Peer-reviewedBiophysics