Protein/Ligand Binding Free Energies Calculated with Quantum Mechanics/Molecular Mechanics-Reference-Cited by-同舟云学术

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

Published:2005-04-29 Issue:20 Volume:109 Page:10474-10483
ISSN:1520-6106
Container-title:The Journal of Physical Chemistry B
language:en
Short-container-title:J. Phys. Chem. B

Author:

Gräter Frauke¹,Schwarzl Sonja M.¹,Dejaegere Annick¹,Fischer Stefan¹,Smith Jeremy C.¹

Affiliation:

1. IWRComputational Biochemistry and IWRComputational Molecular Biophysics, University of Heidelberg, Im Neuenheimer Feld 368, 69120 Heidelberg, Germany, and Departement de Biologie et Génomique Structurales, UMR 7104, Ecole Supérieure de Biotechnologie de Strasbourg, Boulevard S. Brant, FR-67400 Illkirch, France.

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/jp044185y

Reference63 articles.

1. Biomolecular Simulations: Recent Developments in Force Fields, Simulations of Enzyme Catalysis, Protein-Ligand, Protein-Protein, and Protein-Nucleic Acid Noncovalent Interactions

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

3. Statistical potentials and scoring functions applied to protein–ligand binding

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