Accuracy comparison of several common implicit solvent models and their implementations in the context of protein-ligand binding-Reference-Cited by-同舟云学术

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Accuracy comparison of several common implicit solvent models and their implementations in the context of protein-ligand binding

Published:2017-03 Issue: Volume:72 Page:70-80
ISSN:1093-3263
Container-title:Journal of Molecular Graphics and Modelling
language:en
Short-container-title:Journal of Molecular Graphics and Modelling

Author:

Katkova E.V.,Onufriev A.V.,Aguilar B.,Sulimov V.B.

Publisher

Elsevier BV

Subject

Materials Chemistry,Computer Graphics and Computer-Aided Design,Physical and Theoretical Chemistry,Spectroscopy

Reference66 articles.

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2. Supercomputing technologies in medicine;Sadovnichii,2009

3. A new class of models for computing receptor?ligand binding affinities;Gilson;Chem. Biol.,1997

4. Calculation of cyclodextrin binding affinities: energy, entropy, and implications for drug design;Chen;Biophys. J .,2004

5. Search for non-nucleoside inhibitors of HIV-1 reverse transcriptase using chemical similarity, molecular docking, and MM-GB/SA scoring;Barreiro;J. Chem. Inf. Model,2007

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