Protein–Drug Interactions with Effective Polarization in Polarizable Water: Oxime Unbinding from AChE Gorge
Author:
Affiliation:
1. Theoretical Chemistry Section, Bhabha Atomic Research Centre, Mumbai 400 085, India
Funder
Department of Atomic Energy, Government of India
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.5b08930
Reference42 articles.
1. Interactions with Aromatic Rings in Chemical and Biological Recognition
2. Dynamics of Water in Biological Recognition
3. Kinetics of protein–ligand unbinding: Predicting pathways, rates, and rate-limiting steps
4. Force Fields for Protein Simulations
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