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Journal of Computer-Aided Molecular Design|April 17, 2020
Revealing cytotoxic substructures in molecules using deep learningHenry E Webel, Talia B Kimber, Silke Radetzki, et al.Journal of Computer-Aided Molecular Design|October 1, 1988
Crystallographic modellingR A Driessen, B O Loopstra, D P de Bruijn, et al.Journal of Computer-Aided Molecular Design|June 27, 2003
Sensitivity of molecular docking to induced fit effects in influenza virus neuraminidaseLouise Birch, Christopher W Murray, Michael J Hartshorn, et al.Journal of Computer-Aided Molecular Design|June 27, 2003
Distilling the essential features of a protein surface for improving protein-ligand docking, scoring, and virtual screeningMaria I Zavodszky, Paul C Sanschagrin, Rajesh S Korde, et al.Journal of Computer-Aided Molecular Design|June 27, 2003
Classification scheme for the design of serine protease targeted compound librariesStanley A Lang, Andrey V Kozyukov, Konstantin V Balakin, et al.Journal of Computer-Aided Molecular Design|June 27, 2003
How to acquire new biological activities in old compounds by computer predictionV V Poroikov, D A FilimonovJournal of Computer-Aided Molecular Design|August 10, 2001
Optimization of a mathematical topological pattern for the prediction of antihistaminic activityM J Duart, R García-Domenech, G M Antón-Fos, et al.Journal of Computer-Aided Molecular Design|June 8, 2001
Structure-based 3D QSAR and design of novel acetylcholinesterase inhibitorsW Sippl, J M Contreras, I Parrot, et al.Journal of Computer-Aided Molecular Design|May 15, 2001
The search for a new model structure of beta-factor XIIaE S Henriques, W B Floriano, N Reuter, et al.Journal of Computer-Aided Molecular Design|February 24, 2001
FILO (field interaction ligand optimization): a simplex strategy for searching the optimal ligand interaction field in drug designF Melani, P Gratteri, M Adamo, et al.Pageof 263