Response of Small-Scale, Methyl Rotors to Protein−Ligand Association: A Simulation Analysis of Calmodulin−Peptide Binding-Reference-Cited by-同舟云学术

Response of Small-Scale, Methyl Rotors to Protein−Ligand Association: A Simulation Analysis of Calmodulin−Peptide Binding

Published:2009-07-06 Issue:29 Volume:131 Page:10083-10091
ISSN:0002-7863
Container-title:Journal of the American Chemical Society
language:en
Short-container-title:J. Am. Chem. Soc.

Author:

Krishnan Marimuthu¹,Smith Jeremy C.¹

Affiliation:

1. UT/ORNL Center for Molecular Biophysics, Oak Ridge National Laboratory, Oak Ridge, Tennessee 37831, and Department of Biochemistry and Cellular and Molecular Biology, University of Tennessee, Knoxville, Tennessee 37996

Publisher

American Chemical Society (ACS)

Subject

Colloid and Surface Chemistry,Biochemistry,General Chemistry,Catalysis

Link

https://pubs.acs.org/doi/pdf/10.1021/ja901276n

Reference62 articles.

1. Direct Determination of Vibrational Density of States Change on Ligand Binding to a Protein

2. Entropy Changes Accompanying Association Reactions of Proteins

3. Can the calculation of ligand binding free energies be improved with continuum solvent electrostatics and an ideal-gas entropy correction?

4. Protein/Ligand Binding Free Energies Calculated with Quantum Mechanics/Molecular Mechanics

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