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Literature DB >> 11180334

Subnanomolar Inhibitors from Computer Screening: A Model Study Using Human Carbonic Anhydrase II.

Sven Grüneberg¹, Bernd Wendt, Gerhard Klebe.

Abstract

Entities: Gene Species

Year: 2001 PMID： 11180334 DOI： 10.1002/1521-3773(20010119)40:2<389::aid-anie389>3.0.co;2-#

Source DB: PubMed Journal: Angew Chem Int Ed Engl ISSN： 1433-7851 Impact factor: 15.336

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12 in total

1. Combinatorial computational method gives new picomolar ligands for a known enzyme.

Authors: Bartosz A Grzybowski; Alexey V Ishchenko; Chu-Young Kim; George Topalov; Robert Chapman; David W Christianson; George M Whitesides; Eugene I Shakhnovich
Journal: Proc Natl Acad Sci U S A Date: 2002-01-29 Impact factor: 11.205

2. Flexible docking under pharmacophore type constraints.

Authors: Sally A Hindle; Matthias Rarey; Christian Buning; Thomas Lengaue
Journal: J Comput Aided Mol Des Date: 2002-02 Impact factor: 3.686

3. A validation study on the practical use of automated de novo design.

Authors: Martin Stahl; Nikolay P Todorov; Tim James; Harald Mauser; Hans-Joachim Boehm; Philip M Dean
Journal: J Comput Aided Mol Des Date: 2002-07 Impact factor: 3.686

4. Rational design and characterization of a Rac GTPase-specific small molecule inhibitor.

Authors: Yuan Gao; J Bradley Dickerson; Fukun Guo; Jie Zheng; Yi Zheng
Journal: Proc Natl Acad Sci U S A Date: 2004-05-05 Impact factor: 11.205

5. Development of quantitative structure-binding affinity relationship models based on novel geometrical chemical descriptors of the protein-ligand interfaces.

Authors: Shuxing Zhang; Alexander Golbraikh; Alexander Tropsha
Journal: J Med Chem Date: 2006-05-04 Impact factor: 7.446

Review 6. Carbonic anhydrase as a model for biophysical and physical-organic studies of proteins and protein-ligand binding.

Authors: Vijay M Krishnamurthy; George K Kaufman; Adam R Urbach; Irina Gitlin; Katherine L Gudiksen; Douglas B Weibel; George M Whitesides
Journal: Chem Rev Date: 2008-03 Impact factor: 60.622

7. Comprehensive mechanistic analysis of hits from high-throughput and docking screens against beta-lactamase.

Authors: Kerim Babaoglu; Anton Simeonov; John J Irwin; Michael E Nelson; Brian Feng; Craig J Thomas; Laura Cancian; M Paola Costi; David A Maltby; Ajit Jadhav; James Inglese; Christopher P Austin; Brian K Shoichet
Journal: J Med Chem Date: 2008-03-12 Impact factor: 7.446