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Journal of Computer-Aided Molecular Design|July 22, 2022
Insight into the mechanism of molecular recognition between human Integrin-Linked Kinase and Cpd22 and its implication at atomic levelJavier García-Marín, Diego Rodríguez-Puyol, Juan J VaqueroJournal of Computer-Aided Molecular Design|January 13, 2016
A β-solenoid model of the Pmel17 repeat domain: insights to the formation of functional amyloid fibrilsNikolaos N Louros, Fotis A Baltoumas, Stavros J Hamodrakas, et al.Journal of Computer-Aided Molecular Design|December 24, 2015
Design of chemical space networks on the basis of Tversky similarityMengjun Wu, Martin Vogt, Gerald M Maggiora, et al.Journal of Computer-Aided Molecular Design|February 3, 2016
Improving quantitative structure-activity relationship models using Artificial Neural Networks trained with dropoutJeffrey Mendenhall, Jens MeilerJournal of Computer-Aided Molecular Design|February 11, 2016
Extrapolative prediction using physically-based QSARAnn E Cleves, Ajay N JainJournal of Computer-Aided Molecular Design|December 16, 2014
Improving homology modeling of G-protein coupled receptors through multiple-template derived conserved inter-residue interactionsRajan Chaudhari, Andrew J Heim, Zhijun LiJournal of Computer-Aided Molecular Design|September 27, 2015
Ultrafast protein structure-based virtual screening with PantherSanna P Niinivehmas, Kari Salokas, Sakari Lätti, et al.Journal of Computer-Aided Molecular Design|October 14, 2015
Avalanche for shape and feature-based virtual screening with 3D alignmentDavid J Diller, Nancy D Connell, William J WelshJournal of Computer-Aided Molecular Design|January 12, 2015
Prediction and interpretation of the lipophilicity of small peptidesAlessia Visconti, Giuseppe Ermondi, Giulia Caron, et al.Journal of Computer-Aided Molecular Design|August 6, 2015
Extracting ligands from receptors by reversed targeted molecular dynamicsRomain M WolfPageof 265