Literature DB >> 23361090

A ligand's-eye view of protein similarity.

Gerard J P van Westen1, John P Overington.   

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Year:  2013        PMID： 23361090     DOI： 10.1038/nmeth.2339

Source DB:  PubMed          Journal:  Nat Methods        ISSN： 1548-7091            Impact factor:   28.547


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  10 in total

1.  Amino acid substitution matrices from protein blocks.

Authors:  S Henikoff; J G Henikoff
Journal:  Proc Natl Acad Sci U S A       Date:  1992-11-15       Impact factor: 11.205

Review 2.  Chemogenomics: an emerging strategy for rapid target and drug discovery.

Authors:  Markus Bredel; Edgar Jacoby
Journal:  Nat Rev Genet       Date:  2004-04       Impact factor: 53.242

3.  The rapid generation of mutation data matrices from protein sequences.

Authors:  D T Jones; W R Taylor; J M Thornton
Journal:  Comput Appl Biosci       Date:  1992-06

Review 4.  How many drug targets are there?

Authors:  John P Overington; Bissan Al-Lazikani; Andrew L Hopkins
Journal:  Nat Rev Drug Discov       Date:  2006-12       Impact factor: 84.694

5.  Definition of the G protein-coupled receptor transmembrane bundle binding pocket and calculation of receptor similarities for drug design.

Authors:  David E Gloriam; Steven M Foord; Frank E Blaney; Stephen L Garland
Journal:  J Med Chem       Date:  2009-07-23       Impact factor: 7.446

6.  New chemical descriptors relevant for the design of biologically active peptides. A multivariate characterization of 87 amino acids.

Authors:  M Sandberg; L Eriksson; J Jonsson; M Sjöström; S Wold
Journal:  J Med Chem       Date:  1998-07-02       Impact factor: 7.446

7.  A novel chemogenomics analysis of G protein-coupled receptors (GPCRs) and their ligands: a potential strategy for receptor de-orphanization.

Authors:  Eelke van der Horst; Julio E Peironcely; Adriaan P Ijzerman; Margot W Beukers; Jonathan R Lane; Herman W T van Vlijmen; Michael T M Emmerich; Yasushi Okuno; Andreas Bender
Journal:  BMC Bioinformatics       Date:  2010-06-10       Impact factor: 3.169

8.  A pharmacological organization of G protein-coupled receptors.

Authors:  Henry Lin; Maria F Sassano; Bryan L Roth; Brian K Shoichet
Journal:  Nat Methods       Date:  2013-01-06       Impact factor: 28.547

9.  Global analysis of small molecule binding to related protein targets.

Authors:  Felix A Kruger; John P Overington
Journal:  PLoS Comput Biol       Date:  2012-01-12       Impact factor: 4.475

10.  ChEMBL: a large-scale bioactivity database for drug discovery.

Authors:  Anna Gaulton; Louisa J Bellis; A Patricia Bento; Jon Chambers; Mark Davies; Anne Hersey; Yvonne Light; Shaun McGlinchey; David Michalovich; Bissan Al-Lazikani; John P Overington
Journal:  Nucleic Acids Res       Date:  2011-09-23       Impact factor: 16.971
  10 in total
  10 in total

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Journal:  Nat Biotechnol       Date:  2014-11-17       Impact factor: 54.908

2.  Proteochemometric modeling in a Bayesian framework.

Authors:  Isidro Cortes-Ciriano; Gerard Jp van Westen; Eelke Bart Lenselink; Daniel S Murrell; Andreas Bender; Thérèse Malliavin
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3.  Benchmarking of protein descriptor sets in proteochemometric modeling (part 2): modeling performance of 13 amino acid descriptor sets.

Authors:  Gerard Jp van Westen; Remco F Swier; Isidro Cortes-Ciriano; Jörg K Wegner; John P Overington; Adriaan P Ijzerman; Herman Wt van Vlijmen; Andreas Bender
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4.  Identification of Allosteric Modulators of Metabotropic Glutamate 7 Receptor Using Proteochemometric Modeling.

Authors:  Gary Tresadern; Andres A Trabanco; Laura Pérez-Benito; John P Overington; Herman W T van Vlijmen; Gerard J P van Westen
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5.  New molecular insights into the tyrosyl-tRNA synthase inhibitors: CoMFA, CoMSIA analyses and molecular docking studies.

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Journal:  Sci Rep       Date:  2017-09-14       Impact factor: 4.379

6.  Insights into an original pocket-ligand pair classification: a promising tool for ligand profile prediction.

Authors:  Stéphanie Pérot; Leslie Regad; Christelle Reynès; Olivier Spérandio; Maria A Miteva; Bruno O Villoutreix; Anne-Claude Camproux
Journal:  PLoS One       Date:  2013-06-20       Impact factor: 3.240

7.  Chemical, target, and bioactive properties of allosteric modulation.

Authors:  Gerard J P van Westen; Anna Gaulton; John P Overington
Journal:  PLoS Comput Biol       Date:  2014-04-03       Impact factor: 4.475

8.  Improving chemical similarity ensemble approach in target prediction.

Authors:  Zhonghua Wang; Lu Liang; Zheng Yin; Jianping Lin
Journal:  J Cheminform       Date:  2016-04-23       Impact factor: 5.514

9.  Molecular Modeling Study for the Design of Novel Peroxisome Proliferator-Activated Receptor Gamma Agonists using 3D-QSAR and Molecular Docking.

Authors:  Yaning Jian; Yuyu He; Jingjing Yang; Wei Han; Xifeng Zhai; Ye Zhao; Yang Li
Journal:  Int J Mol Sci       Date:  2018-02-23       Impact factor: 5.923

10.  Prediction and evaluation of the lipase inhibitory activities of tea polyphenols with 3D-QSAR models.

Authors:  Yi-Fang Li; Yi-Qun Chang; Jie Deng; Wei-Xi Li; Jie Jian; Jia-Suo Gao; Xin Wan; Hao Gao; Hiroshi Kurihara; Ping-Hua Sun; Rong-Rong He
Journal:  Sci Rep       Date:  2016-10-03       Impact factor: 4.379
  10 in total

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