On the relationship between docking scores and protein conformational changes in HIV-1 protease-Reference-Cited by-同舟云学术

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On the relationship between docking scores and protein conformational changes in HIV-1 protease

Published:2019-09 Issue: Volume:91 Page:186-193
ISSN:1093-3263
Container-title:Journal of Molecular Graphics and Modelling
language:en
Short-container-title:Journal of Molecular Graphics and Modelling

Author:

Mobaraki Nabiollah,Hemmateenejad Bahram,Weikl Thomas R.,Sakhteman Amirhossein

Funder

Alexander von Humboldt Foundation

Shiraz University research council

Publisher

Elsevier BV

Subject

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

Reference56 articles.

1. Molecular evolution of affinity and flexibility in the immune system;Thorpe;Proc. Natl. Acad. Sci. Unit. States Am.,2007

2. Conformational selection in protein binding and function;Weikl;Protein Sci.,2014

3. From “fluctuation fit” to “conformational selection”: evolution, rediscovery, and integration of a concept;Vértessy;Bioessays,2010

4. The role of dynamic conformational ensembles in biomolecular recognition;Boehr;Nat. Chem. Biol.,2009

5. Induced fit, conformational selection and independent dynamic segments: an extended view of binding events;Csermely;Trends Biochem. Sci.,2010

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1. Fragmented blind docking: a novel protein–ligand binding prediction protocol;Journal of Biomolecular Structure and Dynamics;2021-10-12

2. Novel Etodolac-Based 1,2,4-Triazole Derivatives as Antimicrobial Agents: Synthesis, Biological Evaluation, and Molecular Docking Study;Russian Journal of Organic Chemistry;2020-12

3. Mexican HIV-1 Protease Sequence Diversity;AIDS Research and Human Retroviruses;2020-02-01

4. Study of novel triazolo-benzodiazepine analogues as antidepressants targeting by molecular docking and ADMET properties prediction;Heliyon;2019-09

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