Literature DB >> 20012339

Herman Skolnik award symposium honoring Yvonne Martin.

Wendy A Warr1.   

Abstract

Mesh：

Year:  2009        PMID： 20012339     DOI： 10.1007/s10822-009-9310-3

Source DB:  PubMed          Journal:  J Comput Aided Mol Des        ISSN： 0920-654X            Impact factor:   3.686


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  30 in total

1.  Design of a compound screening collection for use in high throughput screening.

Authors:  G Harper; S D Pickett; D V S Green
Journal:  Comb Chem High Throughput Screen       Date:  2004-02       Impact factor: 1.339

2.  Matched molecular pairs as a guide in the optimization of pharmaceutical properties; a study of aqueous solubility, plasma protein binding and oral exposure.

Authors:  Andrew G Leach; Huw D Jones; David A Cosgrove; Peter W Kenny; Linette Ruston; Philip MacFaul; J Matthew Wood; Nicola Colclough; Brian Law
Journal:  J Med Chem       Date:  2006-11-16       Impact factor: 7.446

3.  Identification of target-specific bioisosteric fragments from ligand-protein crystallographic data.

Authors:  Elizabeth A Kennewell; Peter Willett; Pierre Ducrot; Claude Luttmann
Journal:  J Comput Aided Mol Des       Date:  2006-10-13       Impact factor: 3.686

4.  Knowledge-based model of hydrogen-bonding propensity in organic crystals.

Authors:  Peter T A Galek; László Fábián; W D Samuel Motherwell; Frank H Allen; Neil Feeder
Journal:  Acta Crystallogr B       Date:  2007-09-14

Review 5.  Small molecule conformational preferences derived from crystal structure data. A medicinal chemistry focused analysis.

Authors:  Ken A Brameld; Bernd Kuhn; Deborah C Reuter; Martin Stahl
Journal:  J Chem Inf Model       Date:  2008-01-10       Impact factor: 4.956

6.  Virtual screening for R-groups, including predicted pIC50 contributions, within large structural databases, using Topomer CoMFA.

Authors:  Richard D Cramer; Phillip Cruz; Gunther Stahl; William C Curtiss; Brian Campbell; Brian B Masek; Farhad Soltanshahi
Journal:  J Chem Inf Model       Date:  2008-11       Impact factor: 4.956

7.  IsoStar: a library of information about nonbonded interactions.

Authors:  I J Bruno; J C Cole; J P Lommerse; R S Rowland; R Taylor; M L Verdonk
Journal:  J Comput Aided Mol Des       Date:  1997-11       Impact factor: 3.686

8.  Ritonavir: an extraordinary example of conformational polymorphism.

Authors:  J Bauer; S Spanton; R Henry; J Quick; W Dziki; W Porter; J Morris
Journal:  Pharm Res       Date:  2001-06       Impact factor: 4.200

9.  Synthesis and structure-activity relationships of 2-pyridones: a novel series of potent DNA gyrase inhibitors as antibacterial agents.

Authors:  Q Li; D T Chu; A Claiborne; C S Cooper; C M Lee; K Raye; K B Berst; P Donner; W Wang; L Hasvold; A Fung; Z Ma; M Tufano; R Flamm; L L Shen; J Baranowski; A Nilius; J Alder; J Meulbroek; K Marsh; D Crowell; Y Hui; L Seif; L M Melcher; J J Plattner
Journal:  J Med Chem       Date:  1996-08-02       Impact factor: 7.446

10.  Coulombic interactions between partially charged main-chain atoms not hydrogen-bonded to each other influence the conformations of alpha-helices and antiparallel beta-sheet. A new method for analysing the forces between hydrogen bonding groups in proteins includes all the Coulombic interactions.

Authors:  P H Maccallum; R Poet; E J Milner-White
Journal:  J Mol Biol       Date:  1995-04-28       Impact factor: 5.469
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