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Journal of Computer-Aided Molecular Design|June 27, 2003
A structure-based design approach for the identification of novel inhibitors: application to an alanine racemaseGabriela Iurcu Mustata, James M BriggsJournal of Computer-Aided Molecular Design|September 19, 2003
QSAR modeling of beta-lactam binding to human serum proteinsL Mark Hall, Lowell H Hall, Lemont B KierJournal of Computer-Aided Molecular Design|September 19, 2003
In silico prediction of drug toxicityJohn C DeardenJournal of Computer-Aided Molecular Design|September 19, 2003
Classification of HIV protease inhibitors on the basis of their antiviral potency using radial basis function neural networksS J Patankar, P C JursJournal of Computer-Aided Molecular Design|September 19, 2003
Improved mapping of protein binding sitesTamas Kortvelyesi, Michael Silberstein, Sheldon Dennis, et al.Journal of Computer-Aided Molecular Design|September 19, 2003
The nature of topological parameters. I. Are topological parameters 'fundamental properties'?Marvin ChartonJournal of Computer-Aided Molecular Design|September 19, 2003
Chain melting temperature estimation for phosphatidyl cholines by quantum mechanically derived quantitative structure property relationshipsAndrew J Holder, David M Yourtee, Derek A White, et al.Journal of Computer-Aided Molecular Design|November 20, 2021
Hit diffusion: limitations to drug discovery and structure-based designJohn H Van DrieJournal of Computer-Aided Molecular Design|November 24, 2021
Simplified, interpretable graph convolutional neural networks for small molecule activity predictionJeffrey K Weber, Joseph A Morrone, Sugato Bagchi, et al.Journal of Computer-Aided Molecular Design|March 13, 2021
Adapting the DeepSARM approach for dual-target ligand designAtsushi Yoshimori, Huabin Hu, Jürgen BajorathPageof 264