ezAlign: A Tool for Converting Coarse-Grained Molecular Dynamics Structures to Atomistic Resolution for Multiscale Modeling

Soft condensed matter is challenging to study due to the vast time and length scales that are necessary to accurately represent complex systems and capture their underlying physics. Multiscale simulations are necessary to study processes that have disparate time and/or length scales, which abound th...

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Bibliographic Details
Main Authors: W. F. Drew Bennett, Austen Bernardi, Tugba Nur Ozturk, Helgi I. Ingólfsson, Stephen J. Fox, Delin Sun, C. Mark Maupin
Format: Article
Language:English
Published: MDPI AG 2024-07-01
Series:Molecules
Subjects:
Online Access:https://www.mdpi.com/1420-3049/29/15/3557