Molecular Dynamics of Outer Membrane-Embedded Polysaccharide Secretion Porins Reveals Closed Resting-State Surface Gates Targetable by Virtual Fragment Screening for Drug Hotspot Identification-Reference-Cited by-同舟云学术

Molecular Dynamics of Outer Membrane-Embedded Polysaccharide Secretion Porins Reveals Closed Resting-State Surface Gates Targetable by Virtual Fragment Screening for Drug Hotspot Identification

Published:2024-03-04 Issue: Volume: Page:
ISSN:2470-1343
Container-title:ACS Omega
language:en
Short-container-title:ACS Omega

Author:

França Tanos C. C.¹²³⁴^ORCID,Saïdi Fares¹²,Ajamian Alain⁵,Islam Salim T.¹²^ORCID,LaPlante Steven R.¹²^ORCID

Affiliation:

1. Institut National de la Recherche Scientifique (INRS), Centre Armand-Frappier Santé Biotechnologie, Université du Québec, Institut Pasteur International Network, Laval, QC H7V 1B7, Canada

2. PROTEO, the Quebec Network for Research on Protein Function, Engineering, and Applications, Université Laval, Quebec, QC G1V 0A6, Canada

3. Laboratory of Molecular Modeling Applied to Chemical and Biological Defense, Military Institute of Engineering, Rio de Janeiro 22290-270, Brazil

4. Department of Chemistry, Faculty of Science, University of Hradec Kralove, Rokitanskeho 62, 50003 Hradec Kralove, Czech Republic

5. Chemical Computing Group, Montreal, Quebec H3A 2R7, Canada

Funder

Natural Sciences and Engineering Research Council of Canada

Mitacs

Minist?re de l'?conomie et de l'Innovation

NMX Research and Solutions Inc.,

Quebec Consortium for Drug Discovery

Publisher

American Chemical Society (ACS)