9 нояб. 2024 г. · This guide provides a detailed overview of various MD software tools, highlighting their capabilities, computational efficiency, and application scopes.

"MesoBioNano Explorer - A universal program for multiscale computer simulations of complex molecular structure and dynamics". J. Comput. Chem. 33 (30): 2412 ...

LAMMPS is a classical molecular dynamics code with a focus on materials modeling. It's an acronym for Large-scale Atomic/Molecular Massively Parallel Simulator.

16 февр. 2023 г. · YASARA, A complete molecular graphics and modeling program, including interactive molecular dynamics simulations, structure determination, ...

22 мар. 2023 г. · A WEB tool developed to automate biological simulations performed in Gromacs using a graphical interface to make molecular dynamics simulation user-friendly ...

A comprehensive set of tools to allow automated setup and analysis of molecular dynamics trajectories. Access is available through a Axtarish portal.

Utilizes best in-class molecular simulation programs, NAMD and CHARMm, with Gaussian accelerated Molecular Dynamics (GaMD).

A · Abalone (molecular mechanics) · AMBER · Amsterdam Density Functional · Ascalaph Designer · Avizo (software). C. Car–Parrinello molecular dynamics ...

6 дек. 2021 г. · The best ones, in my opinion, are NAMD, GROMACS and, to certain point, Amber. You have the free version of Amber, but for some features, only in the paid ...

A library of Molecular Modelling Tools, MMTools, that monitor physical characteristics of simulated systems, and analyze them in the framework of advanced ...