Reconciling NMR Structures of the HIV-1 Nucleocapsid Protein NCp7 Using Extensive Polarizable Force Field Free-Energy Simulations-Reference-Cited by-同舟云学术

Reconciling NMR Structures of the HIV-1 Nucleocapsid Protein NCp7 Using Extensive Polarizable Force Field Free-Energy Simulations

Published:2020-03-16 Issue:4 Volume:16 Page:2013-2020
ISSN:1549-9618
Container-title:Journal of Chemical Theory and Computation
language:en
Short-container-title:J. Chem. Theory Comput.

Author:

El Khoury Léa¹²,Célerse Frédéric¹³,Lagardère Louis⁴⁵,Jolly Luc-Henri⁴,Derat Etienne³^ORCID,Hobaika Zeina²,Maroun Richard G.²,Ren Pengyu⁶,Bouaziz Serge⁷^ORCID,Gresh Nohad¹,Piquemal Jean-Philip¹⁶⁸^ORCID

Affiliation:

1. LCT, Sorbonne Université, UMR 7616 CNRS, F-75005 Paris, France

2. UR EGP, Centre d’Analyses et de Recherche, Faculté des Sciences, Université Saint-Joseph de Beyrouth, Beirut 1107 2050, Lebanon

3. Sorbonne Université, CNRS, IPCM, F-75005 Paris, France

4. Sorbonne Université, IP2CT, FR2622 CNRS, F-75005 Paris, France

5. Sorbonne Université, ISCD, F-75005 Paris, France

6. Department of Biomedical Engineering, The University of Texas at Austin, Austin, Texas 78712, United States

7. Laboratoire de Cristallographie et RMN Biologiques, Université Paris Descartes, CNRS, 75270 Paris, France

8. Institut Universitaire de France, 75005 Paris, France

Funder

Welch Foundation

Agence Nationale de la Recherche

Minist?re de la D?fense

Conseil National de la Recherche Scientifique

National Institute of General Medical Sciences

H2020 European Research Council

French-Lebanese Program CEDRE

Council of Scientific Research, Universit? Saint-Joseph

Institut Fran?ais du Liban

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry,Computer Science Applications

Link

https://pubs.acs.org/doi/pdf/10.1021/acs.jctc.9b01204

Reference62 articles.

1. Adherence to Nonnucleoside Reverse Transcriptase Inhibitor–Based HIV Therapy and Virologic Outcomes

2. Use of nucleoside reverse transcriptase inhibitors and risk of myocardial infarction in HIV-infected patients enrolled in the D:A:D study: a multi-cohort collaboration

3. Association between presence of HLA-B*5701, HLA-DR7 , and HLA-DQ3 and hypersensitivity to HIV-1 reverse-transcriptase inhibitor abacavir

4. Targeting the Viral Nucleocapsid Protein in Anti-HIV-1 Therapy

5. Azodicarbonamide inhibits HIV-1 replication by targeting the nucleocapsid protein

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