Literature DB >> 12133719

Protein flexibility and drug design: how to hit a moving target.

Heather A Carlson1.   

Abstract

The most advanced methods for computer-aided drug design and database mining incorporate protein flexibility. Such techniques are not only needed to obtain proper results; they are also critical for dealing with the growing body of information from structural genomics.

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Year:  2002        PMID： 12133719     DOI： 10.1016/s1367-5931(02)00341-1

Source DB:  PubMed          Journal:  Curr Opin Chem Biol        ISSN： 1367-5931            Impact factor:   8.822


  78 in total

1.  Utilizing experimental data for reducing ensemble size in flexible-protein docking.

Authors:  Mengang Xu; Markus A Lill
Journal:  J Chem Inf Model       Date:  2011-12-19       Impact factor: 4.956

2.  Development and testing of a de novo drug-design algorithm.

Authors:  Eric Pellegrini; Martin J Field
Journal:  J Comput Aided Mol Des       Date:  2003-10       Impact factor: 3.686

3.  Protein dynamics and the immunological evolution of molecular recognition.

Authors:  Ralph Jimenez; Georgina Salazar; Jun Yin; Taiha Joo; Floyd E Romesberg
Journal:  Proc Natl Acad Sci U S A       Date:  2004-03-04       Impact factor: 11.205

4.  Docking and scoring of metallo-beta-lactamases inhibitors.

Authors:  Lars Olsen; Ingrid Pettersson; Lars Hemmingsen; Hans-Werner Adolph; Flemming Steen Jørgensen
Journal:  J Comput Aided Mol Des       Date:  2004-04       Impact factor: 3.686

5.  ZINC--a free database of commercially available compounds for virtual screening.

Authors:  John J Irwin; Brian K Shoichet
Journal:  J Chem Inf Model       Date:  2005 Jan-Feb       Impact factor: 4.956

Review 6.  Designing ligands to bind proteins.

Authors:  George M Whitesides; Vijay M Krishnamurthy
Journal:  Q Rev Biophys       Date:  2006-07-03       Impact factor: 5.318

7.  Probing a protein-protein interaction by in vitro evolution.

Authors:  George Thom; Alexis C Cockroft; Andrew G Buchanan; Cathy Joberty Candotti; E Suzanne Cohen; David Lowne; Phill Monk; Celia P Shorrock-Hart; Lutz Jermutus; Ralph R Minter
Journal:  Proc Natl Acad Sci U S A       Date:  2006-05-09       Impact factor: 11.205

Review 8.  Towards the development of universal, fast and highly accurate docking/scoring methods: a long way to go.

Authors:  N Moitessier; P Englebienne; D Lee; J Lawandi; C R Corbeil
Journal:  Br J Pharmacol       Date:  2007-11-26       Impact factor: 8.739

9.  Recipes for the selection of experimental protein conformations for virtual screening.

Authors:  Manuel Rueda; Giovanni Bottegoni; Ruben Abagyan
Journal:  J Chem Inf Model       Date:  2010-01       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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