G Protein-Coupled Receptor–Ligand Dissociation Rates and Mechanisms from τRAMD Simulations-Reference-Cited by-同舟云学术

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G Protein-Coupled Receptor–Ligand Dissociation Rates and Mechanisms from τRAMD Simulations

Published:2021-09-08 Issue:10 Volume:17 Page:6610-6623
ISSN:1549-9618
Container-title:Journal of Chemical Theory and Computation
language:en
Short-container-title:J. Chem. Theory Comput.

Author:

Kokh Daria B.¹^ORCID,Wade Rebecca C.¹²³^ORCID

Affiliation:

1. Molecular and Cellular Modeling Group, Heidelberg Institute for Theoretical Studies, Schloss-Wolfsbrunnenweg 35, 69118 Heidelberg, Germany

2. Center for Molecular Biology (ZMBH), DKFZ-ZMBH Alliance, Heidelberg University, Im Neuenheimer Feld 282, 69120 Heidelberg, Germany

3. Interdisciplinary Center for Scientific Computing (IWR), Heidelberg University, Im Neuenheimer Feld 205, 69120 Heidelberg, Germany

Funder

Horizon 2020 Framework Programme

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry,Computer Science Applications

Link

https://pubs.acs.org/doi/pdf/10.1021/acs.jctc.1c00641

Reference54 articles.

1. G Protein-Coupled Receptors as Targets for Approved Drugs: How Many Targets and How Many Drugs?

2. GPCR Dynamics: Structures in Motion

3. Perspective: Implications of Ligand–Receptor Binding Kinetics for Therapeutic Targeting of G Protein-Coupled Receptors

4. Drug–Target Kinetics in Drug Discovery

5. Biochemical mechanisms of drug action: what does it take for success?

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