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spyrmsd: symmetry-corrected RMSD calculations in Python. (2020)

First Author: Meli R

Attributed to: Machine Learning with Molecular Dynamics to improve rapid protein-ligand predictions. funded by BBSRC

Abstract

No abstract provided

Bibliographic Information

Digital Object Identifier: http://dx.doi.org/10.1186/s13321-020-00455-2

PubMed Identifier: 33431033

Publication URI: http://europepmc.org/abstract/MED/33431033

Type: Journal Article/Review

Volume: 12

Parent Publication: Journal of cheminformatics

Issue: 1

ISSN: 1758-2946