Results 261 to 270 of about 633,406 (289)

MOLECULAR DYNAMICS SIMULATIONS

2022
openaire   +1 more source

Simulations of the spike: molecular dynamics and SARS-CoV-2

Nature Reviews Microbiology, 2022
Conrado Pedebos, Syma Khalid
exaly  

Boosting the Optimization of Lithium Metal Batteries by Molecular Dynamics Simulations: A Perspective

Advanced Energy Materials, 2020
Yawen Sun, Tingzhou Yang, Hao-Qing Ji
exaly  

Non-adiabatic Excited-State Molecular Dynamics: Theory and Applications for Modeling Photophysics in Extended Molecular Materials

Chemical Reviews, 2020
Tammie R Nelson, Alexander J White, Josiah A Bjorgaard   +2 more
exaly  

Mixed Quantum Mechanical/Molecular Mechanical Molecular Dynamics Simulations of Biological Systems in Ground and Electronically Excited States

Chemical Reviews, 2015
Elizabeth Brunk, Ursula Röthlisberger
exaly  

Crystal Nucleation in Liquids: Open Questions and Future Challenges in Molecular Dynamics Simulations

Chemical Reviews, 2016
Gabriele Cesare Sosso, Ji Chen, Stephen J Cox   +2 more
exaly  

RNA Structural Dynamics As Captured by Molecular Simulations: A Comprehensive Overview

Chemical Reviews, 2018
Jiřı́ Šponer, Giovanni Bussi, Miroslav Krepl   +2 more
exaly  

Molecular Dynamics Simulations of Ionic Liquids and Electrolytes Using Polarizable Force Fields

Chemical Reviews, 2019
Dmitry Bedrov, Jean-Philip Piquemal, Oleg Borodin   +2 more
exaly  

Molecular Dynamics Simulation

2017
openaire   +1 more source

Molecular dynamics simulation

Journal of Molecular Liquids, 1998
openaire   +1 more source