Literature DB >> 10648630

Accommodating protein flexibility in computational drug design.

H A Carlson1, J A McCammon.   

Abstract

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Year:  2000        PMID： 10648630

Source DB:  PubMed          Journal:  Mol Pharmacol        ISSN： 0026-895X            Impact factor:   4.436


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  77 in total

1.  Deciphering common failures in molecular docking of ligand-protein complexes.

Authors:  G M Verkhivker; D Bouzida; D K Gehlhaar; P A Rejto; S Arthurs; A B Colson; S T Freer; V Larson; B A Luty; T Marrone; P W Rose
Journal:  J Comput Aided Mol Des       Date:  2000-11       Impact factor: 3.686

Review 2.  Multiple diverse ligands binding at a single protein site: a matter of pre-existing populations.

Authors:  Buyong Ma; Maxim Shatsky; Haim J Wolfson; Ruth Nussinov
Journal:  Protein Sci       Date:  2002-02       Impact factor: 6.725

3.  Predicting flexible loop regions that interact with ligands: the challenge of accurate scoring.

Authors:  Matthew L Danielson; Markus A Lill
Journal:  Proteins       Date:  2011-11-09

Review 4.  A review of protein-small molecule docking methods.

Authors:  R D Taylor; P J Jewsbury; J W Essex
Journal:  J Comput Aided Mol Des       Date:  2002-03       Impact factor: 3.686

5.  Dynamics of thermodynamically stable, kinetically trapped, and inhibitor-bound states of pepsin.

Authors:  Derek R Dee; Brenna Myers; Rickey Y Yada
Journal:  Biophys J       Date:  2011-10-05       Impact factor: 4.033

Review 6.  Structure-based discovery of antibacterial drugs.

Authors:  Katie J Simmons; Ian Chopra; Colin W G Fishwick
Journal:  Nat Rev Microbiol       Date:  2010-07       Impact factor: 60.633

7.  Calculation of absolute protein-ligand binding free energy from computer simulations.

Authors:  Hyung-June Woo; Benoît Roux
Journal:  Proc Natl Acad Sci U S A       Date:  2005-05-02       Impact factor: 11.205

Review 8.  Homology modeling of opioid receptor-ligand complexes using experimental constraints.

Authors:  Irina D Pogozheva; Magdalena J Przydzial; Henry I Mosberg
Journal:  AAPS J       Date:  2005-10-05       Impact factor: 4.009

9.  Enhancing Virtual Screening Performance of Protein Kinases with Molecular Dynamics Simulations.

Authors:  Tavina L Offutt; Robert V Swift; Rommie E Amaro
Journal:  J Chem Inf Model       Date:  2016-10-03       Impact factor: 4.956

10.  A quantum mechanic/molecular mechanic study of the wild-type and N155S mutant HIV-1 integrase complexed with diketo acid.

Authors:  Cláudio Nahum Alves; Sergio Martí; Raquel Castillo; Juan Andrés; Vicent Moliner; Iñaki Tuñón; Estanislao Silla
Journal:  Biophys J       Date:  2007-11-02       Impact factor: 4.033
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