Literature DB >> 15809192

Ligand efficiency indices as guideposts for drug discovery.

Cele Abad-Zapatero, James T Metz.   

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Year:  2005        PMID: 15809192     DOI: 10.1016/S1359-6446(05)03386-6

Source DB:  PubMed          Journal:  Drug Discov Today        ISSN: 1359-6446            Impact factor:   7.851


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  103 in total

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Review 2.  Finding the sweet spot: the role of nature and nurture in medicinal chemistry.

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3.  Hit clustering can improve virtual fragment screening: CDK2 and PARP1 case studies.

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4.  Prediction of ligand-binding sites of proteins by molecular docking calculation for a random ligand library.

Authors:  Yoshifumi Fukunishi; Haruki Nakamura
Journal:  Protein Sci       Date:  2011-01       Impact factor: 6.725

5.  Exhaustive fluorine scanning toward potent p53-Mdm2 antagonists.

Authors:  Yijun Huang; Siglinde Wolf; David Koes; Grzegorz M Popowicz; Carlos J Camacho; Tad A Holak; Alexander Dömling
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6.  Structural models in the assessment of protein druggability based on HTS data.

Authors:  Anvita Gupta; Arun Kumar Gupta; Kothandaraman Seshadri
Journal:  J Comput Aided Mol Des       Date:  2009-05-29       Impact factor: 3.686

7.  Virtual fragment screening: an exploration of various docking and scoring protocols for fragments using Glide.

Authors:  Sameer Kawatkar; Hongming Wang; Ryszard Czerminski; Diane Joseph-McCarthy
Journal:  J Comput Aided Mol Des       Date:  2009-06-03       Impact factor: 3.686

8.  CONFIRM: connecting fragments found in receptor molecules.

Authors:  David C Thompson; R Aldrin Denny; Ramaswamy Nilakantan; Christine Humblet; Diane Joseph-McCarthy; Eric Feyfant
Journal:  J Comput Aided Mol Des       Date:  2008-07-09       Impact factor: 3.686

Review 9.  Perspectives on NMR in drug discovery: a technique comes of age.

Authors:  Maurizio Pellecchia; Ivano Bertini; David Cowburn; Claudio Dalvit; Ernest Giralt; Wolfgang Jahnke; Thomas L James; Steve W Homans; Horst Kessler; Claudio Luchinat; Bernd Meyer; Hartmut Oschkinat; Jeff Peng; Harald Schwalbe; Gregg Siegal
Journal:  Nat Rev Drug Discov       Date:  2008-09       Impact factor: 84.694

10.  The Search for Herbal Antibiotics: An In-Silico Investigation of Antibacterial Phytochemicals.

Authors:  Mary Snow Setzer; Javad Sharifi-Rad; William N Setzer
Journal:  Antibiotics (Basel)       Date:  2016-09-12
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