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Journal of Computer-Aided Molecular Design|December 16, 2011
In silico inspired design and synthesis of a novel tubulin-binding anti-cancer drug: folate conjugated noscapine (Targetin)Pradeep K Naik, Manu Lopus, Ritu Aneja, et al.Journal of Computer-Aided Molecular Design|March 30, 2012
Stability and free energy calculation of LNA modified quadruplex: a molecular dynamics studyAmit Kumar Chaubey, Kshatresh Dutta Dubey, Rajendra Prasad OjhaJournal of Computer-Aided Molecular Design|December 14, 2011
Lions and tigers and bears, oh my! Three barriers to progress in computer-aided molecular designRobert D Clark, Marvin WaldmanJournal of Computer-Aided Molecular Design|December 14, 2011
Can we really do computer-aided drug design?Matthew SegallJournal of Computer-Aided Molecular Design|December 14, 2011
Computational chemistry in 25 yearsRuben AbagyanJournal of Computer-Aided Molecular Design|April 11, 2012
Sialyldisaccharide conformations: a molecular dynamics perspectiveJeyasigamani F A Selvin, Thanu R K Priyadarzini, Kasinadar VelurajaJournal of Computer-Aided Molecular Design|November 24, 2011
Qualitative prediction of blood-brain barrier permeability on a large and refined datasetMarkus Muehlbacher, Gudrun M Spitzer, Klaus R Liedl, et al.Journal of Computer-Aided Molecular Design|December 6, 2011
Novel inhibitors to Taenia solium Cu/Zn superoxide dismutase identified by virtual screeningP García-Gutiérrez, A Landa-Piedra, A Rodríguez-Romero, et al.Journal of Computer-Aided Molecular Design|November 22, 2011
MM/GBSA and LIE estimates of host-guest affinities: dependence on charges and solvation modelSamuel GenhedenJournal of Computer-Aided Molecular Design|November 22, 2011
DemQSAR: predicting human volume of distribution and clearance of drugsOzgur Demir-Kavuk, Jörg Bentzien, Ingo Muegge, et al.Pageof 265