Electrostatic Contributions to the Binding Free Energy of Nicotine to the Acetylcholine Binding Protein-Reference-Cited by-同舟云学术

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Electrostatic Contributions to the Binding Free Energy of Nicotine to the Acetylcholine Binding Protein

Published:2022-10-19 Issue:43 Volume:126 Page:8669-8679
ISSN:1520-6106
Container-title:The Journal of Physical Chemistry B
language:en
Short-container-title:J. Phys. Chem. B

Author:

Li Zoe¹,Chan Kevin C.¹^ORCID,Nickels Jonathan D.²,Cheng Xiaolin¹³^ORCID

Affiliation:

1. Division of Medicinal Chemistry and Pharmacognosy, College of Pharmacy at The Ohio State University, Columbus, Ohio43210, United States

2. Department of Chemical and Environmental Engineering, University of Cincinnati, Cincinnati, Ohio45221, United States

3. Translational Data Analytics Institute (TDAI) at The Ohio State University, Columbus, Ohio43210, United States

Funder

Ohio State University

Publisher

American Chemical Society (ACS)

Subject

Materials Chemistry,Surfaces, Coatings and Films,Physical and Theoretical Chemistry

Link

https://pubs.acs.org/doi/pdf/10.1021/acs.jpcb.2c04641

Reference62 articles.

1. Molecular Recognition in Chemical and Biological Systems

2. A Chemical Biology View of Bioactive Small Molecules and a Binder‐Based Approach to Connect Biology to Precision Medicines

3. Ligand Binding Thermodynamics in Drug Discovery: Still a Hot Tip?

4. Statistical mechanics and molecular dynamics in evaluating thermodynamic properties of biomolecular recognition

5. Thermodynamics and Kinetics of Drug-Target Binding by Molecular Simulation

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