Showing results (481-490 of 2,625) with videos related to
Sort By:
Pageof 263
Journal of Computer-Aided Molecular Design|February 26, 2021
Identification of novel EED-EZH2 PPI inhibitors using an in silico fragment mapping methodKensuke Misawa, Noriyuki Yamaotsu, Shuichi HironoJournal of Computer-Aided Molecular Design|October 18, 2022
Protocol for iterative optimization of modified peptides bound to protein targetsRodrigo Ochoa, Pilar Cossio, Thomas FoxJournal of Computer-Aided Molecular Design|October 5, 2022
Enhancing sampling of water rehydration upon ligand binding using variants of grand canonical Monte CarloYunhui Ge, Oliver J Melling, Weiming Dong, et al.Journal of Computer-Aided Molecular Design|January 15, 2022
Explicit solvation thermodynamics in ionic solution: extending grid inhomogeneous solvation theory to solvation free energy of salt-water mixturesFranz Waibl, Johannes Kraml, Monica L Fernández-Quintero, et al.Journal of Computer-Aided Molecular Design|April 17, 2019
Visualizing protein-ligand binding with chemical energy-wise decomposition (CHEWD): application to ligand binding in the kallikrein-8 S1 SiteSaad Raza, Kara E Ranaghan, Marc W van der Kamp, et al.Journal of Computer-Aided Molecular Design|August 22, 2018
Absolute and relative pKa predictions via a DFT approach applied to the SAMPL6 blind challengeQiao Zeng, Michael R Jones, Bernard R BrooksJournal of Computer-Aided Molecular Design|October 30, 2021
Imputation of sensory properties using deep learningSamar Mahmoud, Benedict Irwin, Dmitriy Chekmarev, et al.Journal of Computer-Aided Molecular Design|April 1, 2022
Comparison of logP and logD correction models trained with public and proprietary data setsIgnacio Aliagas, Alberto Gobbi, Man-Ling Lee, et al.Journal of Computer-Aided Molecular Design|August 31, 2018
Blinded predictions of standard binding free energies: lessons learned from the SAMPL6 challengeMichail Papadourakis, Stefano Bosisio, Julien MichelJournal of Computer-Aided Molecular Design|September 2, 2018
Identification of protoberberine alkaloids as novel histone methyltransferase G9a inhibitors by structure-based virtual screeningJie Chen, Xiao Lin, Kyoung Jin Park, et al.Pageof 263