Atomistic molecular dynamics simulations a Structural representation of

Coarse-Grained Protein Models and Their Applications

PPT - An Introduction to Molecular Dynamics Simulations PowerPoint

Effects of N-glycosylation on protein conformation and dynamics

Atomistic neural network representations for chemical dynamics

Research Areas LEARNING MATTER

Multi-scale modeling: From atoms to the continuum – Yethiraj

Atomistic molecular-dynamic simulation predicts aggregation-prone

An optimized fully-atomistic procedure to generate glassy polymer

IJMS, Free Full-Text

PerMut: Spatially Resolved Hydration Entropies from Atomistic

A complete description of thermodynamic stabilities of molecular

The Molecular Dynamics Simulations at different levels of

RedMDStream: Parameterization and Simulation Toolbox for Coarse

Atomistic simulation methods can be broadly categorized into two

AIMD-Chig: Exploring the conformational space of a 166-atom