Journal of Cardiovascular Disease Research
Advanced Coarse-Graining of Molecular Dynamics: Stochastic Models Beyond Gaussian Forces
Dr.MARTHA SRINIVAS, Dr.SHAFEE UR RAHAMAN MOHMAD
JCDR. 2021: 335 -343
Abstract
Integrating atomistic and molecular data into models of cellular activity is difficult due to the significant disparity in spatial and temporal scales between atomic and cellular activities. Multiscale or multi-resolution techniques mitigate this challenge by using molecular dynamics (MD) and coarse-grained models in various regions of the cell. Their application relies on the precision and characteristics of the coarse-grained model that approximates the comprehensive molecular dynamics description.
» PDF