An MM/3D-RISM Approach for Ligand Binding Affinities-Reference-Cited by-同舟云学术

An MM/3D-RISM Approach for Ligand Binding Affinities

Published:2010-06-04 Issue:25 Volume:114 Page:8505-8516
ISSN:1520-6106
Container-title:The Journal of Physical Chemistry B
language:en
Short-container-title:J. Phys. Chem. B

Author:

Genheden Samuel¹,Luchko Tyler¹,Gusarov Sergey¹,Kovalenko Andriy¹,Ryde Ulf¹

Affiliation:

1. Department of Theoretical Chemistry, Lund University, Chemical Centre, P.O. Box 124, SE-221 00 Lund, Sweden, National Institute for Nanotechnology, 11421 Saskatchewan Drive, Edmonton, Alberta T6G 2M9, Canada, and Department of Mechanical Engineering, University of Alberta, Edmonton, Alberta T6G 2G8, Canada

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/jp101461s

Reference92 articles.

1. Approaches to the Description and Prediction of the Binding Affinity of Small-Molecule Ligands to Macromolecular Receptors

2. Calculations of antibody-antigen interactions: microscopic and semi-microscopic evaluation of the free energies of binding of phosphorylcholine analogs to McPC603

3. Examining methods for calculations of binding free energies: LRA, LIE, PDLD-LRA, and PDLD/S-LRA calculations of ligands binding to an HIV protease

4. Modeling electrostatic effects in proteins

5. A new method for predicting binding affinity in computer-aided drug design

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