Ligand-Binding Affinity Estimates Supported by Quantum-Mechanical Methods-Reference-Cited by-同舟云学术

Ligand-Binding Affinity Estimates Supported by Quantum-Mechanical Methods

Published:2016-04-14 Issue:9 Volume:116 Page:5520-5566
ISSN:0009-2665
Container-title:Chemical Reviews
language:en
Short-container-title:Chem. Rev.

Author:

Ryde Ulf¹,Söderhjelm Pär¹

Affiliation:

1. Department of Theoretical Chemistry and ‡Department of Biophysical Chemistry, Lund University, Chemical Centre, P.O. Box 124, SE-221 00 Lund, Sweden

Funder

Vetenskapsr?det

Knut och Alice Wallenbergs Stiftelse

Publisher

American Chemical Society (ACS)

Subject

General Chemistry

Link

https://pubs.acs.org/doi/pdf/10.1021/acs.chemrev.5b00630

Reference389 articles.

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

2. A Critical Assessment of Docking Programs and Scoring Functions

3. Comparison of Several Molecular Docking Programs: Pose Prediction and Virtual Screening Accuracy

4. Free Energy Calculations and Ligand Binding

5. Calculating Structures and Free Energies of Complex Molecules: Combining Molecular Mechanics and Continuum Models

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