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Journal of Computer-Aided Molecular Design|February 28, 2014
Structure-guided optimization of small molecule c-Abl activatorsXuan Hong, Ping Cao, Yoshiaki Washio, et al.Journal of Computer-Aided Molecular Design|March 7, 2014
The SAMPL4 host-guest blind prediction challenge: an overviewHari S Muddana, Andrew T Fenley, David L Mobley, et al.Journal of Computer-Aided Molecular Design|January 25, 2008
Evaluation of descriptors and classification schemes to predict cytochrome substrates in terms of chemical informationJohn H Block, Douglas R HenryJournal of Computer-Aided Molecular Design|January 25, 2008
Quantitative structure-activity relationship analysis of canonical inhibitors of serine proteasesDaniele Dell'orco, Pier Giuseppe De BenedettiJournal of Computer-Aided Molecular Design|February 20, 2014
Predicting hydration free energies with chemical accuracy: the SAMPL4 challengeLars SandbergJournal of Computer-Aided Molecular Design|February 21, 2014
Extended solvent-contact model approach to SAMPL4 blind prediction challenge for hydration free energiesHwangseo ParkJournal of Computer-Aided Molecular Design|October 4, 2016
Absolute binding free energies for octa-acids and guests in SAMPL5 : Evaluating binding free energies for octa-acid and guest complexes in the SAMPL5 blind challengeFlorentina Tofoleanu, Juyong Lee, Frank C Pickard Iv, et al.Journal of Computer-Aided Molecular Design|March 3, 2017
A molecular dynamics simulation study decodes the early stage of the disassembly process abolishing the human SAMHD1 functionFrancesca Cardamone, Federico Iacovelli, Giovanni Chillemi, et al.Journal of Computer-Aided Molecular Design|March 20, 2019
Elucidating the druggability of the human proteome with eFindSiteOmar Kana, Michal BrylinskiPageof 265