Calculation of Protein−Ligand Interaction Energies by a Fragmentation Approach Combining High-Level Quantum Chemistry with Classical Many-Body Effects-Reference-Cited by-同舟云学术

Calculation of Protein−Ligand Interaction Energies by a Fragmentation Approach Combining High-Level Quantum Chemistry with Classical Many-Body Effects

Published:2009-07-20 Issue:32 Volume:113 Page:11085-11094
ISSN:1520-6106
Container-title:The Journal of Physical Chemistry B
language:en
Short-container-title:J. Phys. Chem. B

Author:

Söderhjelm Pär¹,Aquilante Francesco¹,Ryde Ulf¹

Affiliation:

1. Department of Theoretical Chemistry, Lund University, Chemical Center, POB 124, SE-22100 Lund, Sweden, and University of Geneva, 30 Quai Ernest Ansermet, CH-1211 Geneva 4, Switzerland

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/jp810551h

Reference55 articles.

1. How Accurate Can a Force Field Become? A Polarizable Multipole Model Combined with Fragment-wise Quantum-Mechanical Calculations

2. Molecular mechanics methods for predicting protein–ligand binding

3. Calculation of Protein-Ligand Binding Affinities

4. Polarizable Force Fields: History, Test Cases, and Prospects

5. Calculation of the Free Energy of Polarization: Quantifying the Effect of Explicitly Treating Electronic Polarization on the Transferability of Force-Field Parameters

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