Bartender: Martini 3 Bonded Terms via Quantum Mechanics-Based Molecular Dynamics-Reference-Cited by-同舟云学术

Bartender: Martini 3 Bonded Terms via Quantum Mechanics-Based Molecular Dynamics

Published:2024-06-26 Issue:13 Volume:20 Page:5763-5773
ISSN:1549-9618
Container-title:Journal of Chemical Theory and Computation
language:en
Short-container-title:J. Chem. Theory Comput.

Author:

Pereira Gilberto P.¹²^ORCID,Alessandri Riccardo³^ORCID,Domínguez Moisés⁴^ORCID,Araya-Osorio Rocío⁵^ORCID,Grünewald Linus⁶,Borges-Araújo Luís¹²^ORCID,Wu Sangwook⁷⁸,Marrink Siewert J.⁶^ORCID,Souza Paulo C. T.¹²^ORCID,Mera-Adasme Raul⁵^ORCID

Affiliation:

1. Laboratoire de Biologie et Modélisation de la Cellule, CNRS, UMR 5239, Inserm, U1293, Université Claude Bernard Lyon 1, Ecole Normale Supérieure de Lyon, 46 Allée d’Italie, Lyon 69364, France

2. Centre Blaise Pascal de Simulation et de Modélisation Numérique, Ecole Normale Supérieure de Lyon, 46 Allée d’Italie, Lyon 69364, France

3. Pritzker School of Molecular Engineering, University of Chicago, Chicago, Illinois 60637, United States

4. Departamento de Ciencias del Ambiente, Facultad de Química y Biología, Universidad de Santiago de Chile (USACH), Av. Libertador Bernardo O’Higgins 3363, Estacion Central, Santiago 9170022, Chile

5. Departamento de Quimica, Facultad de Ciencias, Universidad de Tarapacá, Av. Gral. Velasquez 1775, Arica 1000000, Chile

6. Groningen Biomolecular Sciences and Biotechnology Institute, University of Groningen, Nijenborgh 7, Groningen 9747 AG, The Netherlands

7. PharmCADD, Busan 48792, Republic of Korea

8. Department of Physics, Pukyong National University, Busan 48513, Republic of Korea

Funder

European Research Council

Centre National de la Recherche Scientifique

Fondo Nacional de Desarrollo Cient?fico y Tecnol?gico

Nederlandse Organisatie voor Wetenschappelijk Onderzoek

Publisher

American Chemical Society (ACS)

Link

https://pubs.acs.org/doi/pdf/10.1021/acs.jctc.4c00275

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