Literature DB >> 8788213

The art and practice of structure-based drug design: a molecular modeling perspective.

R S Bohacek1, C McMartin, W C Guida.   

Abstract

Mesh：

Year:  1996        PMID： 8788213     DOI： 10.1002/(SICI)1098-1128(199601)16:1<3::AID-MED1>3.0.CO;2-6

Source DB:  PubMed          Journal:  Med Res Rev        ISSN： 0198-6325            Impact factor:   12.944


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  141 in total

1.  A CoMFA analysis with conformational propensity: an attempt to analyze the SAR of a set of molecules with different conformational flexibility using a 3D-QSAR method.

Authors:  K Gohda; I Mori; D Ohta; T Kikuchi
Journal:  J Comput Aided Mol Des       Date:  2000-03       Impact factor: 3.686

2.  Making virtual screening a reality.

Authors:  John T Koh
Journal:  Proc Natl Acad Sci U S A       Date:  2003-06-02       Impact factor: 11.205

Review 3.  Applications of NMR to structure-based drug design in structural genomics.

Authors:  Robert Powers
Journal:  J Struct Funct Genomics       Date:  2002

Review 4.  Diagnosing the decline in pharmaceutical R&D efficiency.

Authors:  Jack W Scannell; Alex Blanckley; Helen Boldon; Brian Warrington
Journal:  Nat Rev Drug Discov       Date:  2012-03-01       Impact factor: 84.694

Review 5.  Chemistry and biology of multicomponent reactions.

Authors:  Alexander Dömling; Wei Wang; Kan Wang
Journal:  Chem Rev       Date:  2012-03-22       Impact factor: 60.622

6.  Focused enumeration and assessing the structural diversity of scaffold libraries: conformationally restricted bicyclic secondary diamines.

Authors:  Oleksandr O Grygorenko; Roman Prytulyak; Dmitriy M Volochnyuk; Volodymyr Kudrya; Oleksiy V Khavryuchenko; Igor V Komarov
Journal:  Mol Divers       Date:  2012-07-03       Impact factor: 2.943

7.  Combinatorially-generated library of 6-fluoroquinolone analogs as potential novel antitubercular agents: a chemometric and molecular modeling assessment.

Authors:  Nikola Minovski; Andrej Perdih; Tom Solmajer
Journal:  J Mol Model       Date:  2011-08-12       Impact factor: 1.810

8.  Design of chemical space networks using a Tanimoto similarity variant based upon maximum common substructures.

Authors:  Bijun Zhang; Martin Vogt; Gerald M Maggiora; Jürgen Bajorath
Journal:  J Comput Aided Mol Des       Date:  2015-09-29       Impact factor: 3.686

9.  Fragment-based and structure-guided discovery and optimization of Rho kinase inhibitors.

Authors:  Rongshi Li; Mathew P Martin; Yan Liu; Binglin Wang; Ronil A Patel; Jin-Yi Zhu; Nan Sun; Roberta Pireddu; Nicholas J Lawrence; Jiannong Li; Eric B Haura; Shen-Shu Sung; Wayne C Guida; Ernst Schonbrunn; Said M Sebti
Journal:  J Med Chem       Date:  2012-02-15       Impact factor: 7.446

10.  Identifying molecules as biosignatures with assembly theory and mass spectrometry.

Authors:  Stuart M Marshall; Cole Mathis; Emma Carrick; Graham Keenan; Geoffrey J T Cooper; Heather Graham; Matthew Craven; Piotr S Gromski; Douglas G Moore; Sara I Walker; Leroy Cronin
Journal:  Nat Commun       Date:  2021-05-24       Impact factor: 14.919
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