Literature DB >> 20929257

Quo vadis, virtual screening? A comprehensive survey of prospective applications.

Peter Ripphausen1, Britta Nisius, Lisa Peltason, Jürgen Bajorath.   

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Year:  2010        PMID： 20929257     DOI： 10.1021/jm101020z

Source DB:  PubMed          Journal:  J Med Chem        ISSN： 0022-2623            Impact factor:   7.446


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  54 in total

1.  A force field with discrete displaceable waters and desolvation entropy for hydrated ligand docking.

Authors:  Stefano Forli; Arthur J Olson
Journal:  J Med Chem       Date:  2012-01-13       Impact factor: 7.446

Review 2.  Computational methods in drug discovery.

Authors:  Gregory Sliwoski; Sandeepkumar Kothiwale; Jens Meiler; Edward W Lowe
Journal:  Pharmacol Rev       Date:  2013-12-31       Impact factor: 25.468

3.  Comparison of ultra-fast 2D and 3D ligand and target descriptors for side effect prediction and network analysis in polypharmacology.

Authors:  Alvaro Cortés-Cabrera; Garrett M Morris; Paul W Finn; Antonio Morreale; Federico Gago
Journal:  Br J Pharmacol       Date:  2013-10       Impact factor: 8.739

Review 4.  Application of NMR and molecular docking in structure-based drug discovery.

Authors:  Jaime L Stark; Robert Powers
Journal:  Top Curr Chem       Date:  2012

5.  Molecular dynamics to enhance structure-based virtual screening on cathepsin B.

Authors:  Mitja Ogrizek; Samo Turk; Samo Lešnik; Izidor Sosič; Milan Hodošček; Bojana Mirković; Janko Kos; Dušanka Janežič; Stanislav Gobec; Janez Konc
Journal:  J Comput Aided Mol Des       Date:  2015-05-07       Impact factor: 3.686

6.  Molecular Scaffold Hopping via Holistic Molecular Representation.

Authors:  Francesca Grisoni; Gisbert Schneider
Journal:  Methods Mol Biol       Date:  2021

7.  Emerging topics in structure-based virtual screening.

Authors:  Giulio Rastelli
Journal:  Pharm Res       Date:  2013-03-07       Impact factor: 4.200

Review 8.  Protein modeling: what happened to the "protein structure gap"?

Authors:  Torsten Schwede
Journal:  Structure       Date:  2013-09-03       Impact factor: 5.006

9.  SCISSORS: practical considerations.

Authors:  Steven M Kearnes; Imran S Haque; Vijay S Pande
Journal:  J Chem Inf Model       Date:  2013-12-16       Impact factor: 4.956

Review 10.  Modelling three-dimensional protein structures for applications in drug design.

Authors:  Tobias Schmidt; Andreas Bergner; Torsten Schwede
Journal:  Drug Discov Today       Date:  2013-11-08       Impact factor: 7.851
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