String Method for Protein–Protein Binding Free-Energy Calculations-Reference-Cited by-同舟云学术

String Method for Protein–Protein Binding Free-Energy Calculations

Published:2019-10-08 Issue:11 Volume:15 Page:5829-5844
ISSN:1549-9618
Container-title:Journal of Chemical Theory and Computation
language:en
Short-container-title:J. Chem. Theory Comput.

Author:

Suh Donghyuk¹,Jo Sunhwan²^ORCID,Jiang Wei²^ORCID,Chipot Chris³⁴⁵^ORCID,Roux Benoît¹⁶⁷^ORCID

Affiliation:

1. Department of Chemistry, University of Chicago, Chicago, Illinois 60637-1454, United States

2. Computational Science Division, Argonne National Laboratory, Argonne, Illinois 60439-8643, United States

3. Laboratoire International Associé Centre National de la Recherche Scientifique et University of Illinois at Urbana−Champaign, Unité Mixte de Recherche n°7019, Université de Lorraine, B.P. 70239, 54506 Vandoeuvre-lès-Nancy cedex, France

4. Theoretical and Computational Biophysics Group, Beckman Institute for Advanced Science and Technology, University of Illinois at Urbana−Champaign, Urbana, Illinois 61801-2325, United States

5. Department of Physics, University of Illinois at Urbana−Champaign, Urbana, Illinois 61801-2325, United States

6. Department of Biochemistry and Molecular Biology, University of Chicago, Chicago, Illinois 60637-1454, United States

7. Center for Nanoscale Materials, Argonne National Laboratory, Argonne, Illinois 60439-8643, United States

Funder

Division of Molecular and Cellular Biosciences

European Regional Development Fund

Le Commissariat g?n?ral ? l??galit? des territoires

France Chicago Center, University of Chicago

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry,Computer Science Applications

Link

https://pubs.acs.org/doi/pdf/10.1021/acs.jctc.9b00499

Reference55 articles.

1. Calculation of absolute protein-ligand binding free energy from computer simulations

2. Standard Binding Free Energies from Computer Simulations: What Is the Best Strategy?

3. Efficient Determination of Protein–Protein Standard Binding Free Energies from First Principles

4. Calculation of Standard Binding Free Energies: Aromatic Molecules in the T4 Lysozyme L99A Mutant

5. Computations of Standard Binding Free Energies with Molecular Dynamics Simulations

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