Alchemical Free Energy Calculations on Membrane-Associated Proteins-Reference-Cited by-同舟云学术

Alchemical Free Energy Calculations on Membrane-Associated Proteins

Published:2023-10-30 Issue:21 Volume:19 Page:7437-7458
ISSN:1549-9618
Container-title:Journal of Chemical Theory and Computation
language:en
Short-container-title:J. Chem. Theory Comput.

Author:

Papadourakis Michail¹^ORCID,Sinenka Hryhory²^ORCID,Matricon Pierre³,Hénin Jérôme⁴^ORCID,Brannigan Grace⁵⁶^ORCID,Pérez-Benito Laura⁷,Pande Vineet⁷,van Vlijmen Herman⁷^ORCID,de Graaf Chris³^ORCID,Deflorian Francesca³,Tresadern Gary⁷^ORCID,Cecchini Marco²^ORCID,Cournia Zoe¹^ORCID

Affiliation:

1. Biomedical Research Foundation, Academy of Athens, 4 Soranou Ephessiou, 11527 Athens, Greece

2. Institut de Chimie de Strasbourg, UMR7177, CNRS, Université de Strasbourg, F-67083 Strasbourg Cedex, France

3. Sosei Heptares, Steinmetz Building, Granta Park, Great Abington, Cambridge CB21 6DG, United Kingdom

4. Laboratoire de Biochimie Théorique UPR 9080, CNRS and Université Paris Cité, 75005 Paris, France

5. Center for Computational and Integrative Biology, Rutgers University−Camden, Camden, New Jersey 08103, United States of America

6. Department of Physics, Rutgers University−Camden, Camden, New Jersey 08102, United States of America

7. CADD, In Silico Discovery, Janssen Research & Development, Turnhoutseweg 30, 2340 Beerse, Belgium

Funder

Agence Nationale de la Recherche

H2020 Marie Sklodowska-Curie Actions

Bodossaki Foundation

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry,Computer Science Applications

Link

https://pubs.acs.org/doi/pdf/10.1021/acs.jctc.3c00365

Reference210 articles.

1. Free Energy Methods in Drug Discovery—Introduction

2. Novel Directions in Free Energy Methods and Applications

3. Frontiers in free-energy calculations of biological systems

4. Best Practices for Alchemical Free Energy Calculations [Article v1.0]

5. Relative Binding Free Energy Calculations in Drug Discovery: Recent Advances and Practical Considerations

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