MDFF_NM: Improved Molecular Dynamics Flexible Fitting into Cryo-EM Density Maps with a Multireplica Normal Mode-Based Search-Reference-Cited by-同舟云学术

MDFF_NM: Improved Molecular Dynamics Flexible Fitting into Cryo-EM Density Maps with a Multireplica Normal Mode-Based Search

Published:2024-06-22 Issue:13 Volume:64 Page:5151-5160
ISSN:1549-9596
Container-title:Journal of Chemical Information and Modeling
language:en
Short-container-title:J. Chem. Inf. Model.

Author:

Dahmani Zakaria L.¹²,Scott Ana Ligia³⁴,Vénien-Bryan Catherine²,Perahia David⁵,Costa Mauricio G.S²⁵⁶^ORCID

Affiliation:

1. School of Medicine, Department of Computational and Systems Biology, University of Pittsburgh, 800 Murdoch I Bldg, 3420 Forbes Avenue, Pittsburgh, Pennsylvania 15260, United States

2. UMR 7590, CNRS, Museum National d’Histoire Naturelle, Institut de Minéralogie, Physique des Matériaux et Cosmochimie, IMPMC, Sorbonne Université, 4 place Jussieu, Paris 75005, France

3. CMCC, Computational Biophysics and Biology, Universidade Federal do ABC, Avenida dos Estados 5001, São Paulo, Santo André 09210-580, Brazil

4. Université de Strasbourg─IGBMC─Departament de Biologie structurale integrative, 1 rue Laurent Fries BP, Illkirch 10142 67404, CEDEX, France

5. Laboratoire de Biologie et Pharmacologie Appliquée, UMR 8113, École Normale Supérieure Paris-Saclay, Gif-sur-Yvette 91190, France

6. Programa de Computação Científica, Vice-Presidência de Educação, Informação e Comunicação, Fundação Oswaldo Cruz, Av.Brasil 4365, Residência Oficial, Manguinhos, Rio de Janeiro 21040-900, Brazil

Funder

Sorbonne Universit?

Coordena??o de Aperfei?oamento de Pessoal de N?vel Superior

Soci?t? Fran?aise des microscopies

Publisher

American Chemical Society (ACS)

Link

https://pubs.acs.org/doi/pdf/10.1021/acs.jcim.3c02007

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