The ACPYPE web server for small-molecule MD topology generation

Abstract Motivation The generation of parameter files for molecular dynamics (MD) simulations of small molecules that are suitable for force fields commonly applied to proteins and nucleic acids is often challenging. The ACPYPE software and website aid the generation of such parameter files. Results...

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Bibliographic Details

Published in:	Bioinformatics (Oxford, England) Vol. 39; no. 6
Main Authors:	Kagami, Luciano, Wilter, Alan, Diaz, Adrian, Vranken, Wim
Format:	Journal Article
Language:	English
Published:	England Oxford University Press 01.06.2023
Subjects:	Applications Note
ISSN:	1367-4811, 1367-4803, 1367-4811
Online Access:	Get full text
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