Literature DB >> 11093229

Virtual Screening for Bioactive Molecules by Evolutionary De Novo Design Special thanks to Neil R. Taylor for his help in preparation of the manuscript.

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Abstract

Year:  2000        PMID： 11093229

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


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  15 in total

1.  Comparison of correlation vector methods for ligand-based similarity searching.

Authors:  Uli Fechner; Lutz Franke; Steffen Renner; Petra Schneider; Gisbert Schneider
Journal:  J Comput Aided Mol Des       Date:  2003-10       Impact factor: 3.686

2.  Designing the molecular future.

Authors:  Gisbert Schneider
Journal:  J Comput Aided Mol Des       Date:  2011-11-30       Impact factor: 3.686

3.  The concept of template-based de novo design from drug-derived molecular fragments and its application to TAR RNA.

Authors:  Andreas Schüller; Marcel Suhartono; Uli Fechner; Yusuf Tanrikulu; Sven Breitung; Ute Scheffer; Michael W Göbel; Gisbert Schneider
Journal:  J Comput Aided Mol Des       Date:  2007-12-07       Impact factor: 3.686

4.  Customizable de novo design strategies for DOCK: Application to HIVgp41 and other therapeutic targets.

Authors:  William J Allen; Brian C Fochtman; Trent E Balius; Robert C Rizzo
Journal:  J Comput Chem       Date:  2017-09-22       Impact factor: 3.376

5.  In silico identification of viper phospholipaseA2 inhibitors: validation by in vitro, in vivo studies.

Authors:  Amit Nargotra; Sujata Sharma; Mohd Iqbal Alam; Zabeer Ahmed; Asha Bhagat; Subhash Chander Taneja; Ghulam Nabi Qazi; Surrinder Koul
Journal:  J Mol Model       Date:  2011-03-01       Impact factor: 1.810

6.  DOGS: reaction-driven de novo design of bioactive compounds.

Authors:  Markus Hartenfeller; Heiko Zettl; Miriam Walter; Matthias Rupp; Felix Reisen; Ewgenij Proschak; Sascha Weggen; Holger Stark; Gisbert Schneider
Journal:  PLoS Comput Biol       Date:  2012-02-16       Impact factor: 4.475

7.  Identification and characterization of novel small-molecule inhibitors against hepatitis delta virus replication by using docking strategies.

Authors:  Sarita Singh; Sunil Kumar Gupta; Anuradha Nischal; Sanjay Khattri; Rajendra Nath; Kamlesh Kumar Pant; Prahlad Kishore Seth
Journal:  Hepat Mon       Date:  2011-10       Impact factor: 0.660

8.  Support vector inductive logic programming outperforms the naive Bayes classifier and inductive logic programming for the classification of bioactive chemical compounds.

Authors:  Edward O Cannon; Ata Amini; Andreas Bender; Michael J E Sternberg; Stephen H Muggleton; Robert C Glen; John B O Mitchell
Journal:  J Comput Aided Mol Des       Date:  2007-03-27       Impact factor: 4.179

9.  Computational Methods Applied to Rational Drug Design.

Authors:  David Ramírez
Journal:  Open Med Chem J       Date:  2016-04-26

10.  Ensemble learning method for the prediction of new bioactive molecules.

Authors:  Lateefat Temitope Afolabi; Faisal Saeed; Haslinda Hashim; Olutomilayo Olayemi Petinrin
Journal:  PLoS One       Date:  2018-01-12       Impact factor: 3.240
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