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Journal of Computer-Aided Molecular Design|June 10, 2017
Structural insight into the role of Gln293Met mutation on the Peloruside A/Laulimalide association with αβ-tubulin from molecular dynamics simulations, binding free energy calculations and weak interactions analysisMatías A Zúñiga, Joel B Alderete, Gonzalo A Jaña, et al.Journal of Computer-Aided Molecular Design|November 26, 2009
Development of QSAR models for microsomal stability: identification of good and bad structural features for rat, human and mouse microsomal stabilityYongbo Hu, Ray Unwalla, R Aldrin Denny, et al.Journal of Computer-Aided Molecular Design|December 17, 2009
Interactions between anti-ErbB2 antibody A21 and the ErbB2 extracellular domain provide a basis for improving A21 affinityLiang Chang, Changhai Zhou, Man Xu, et al.Journal of Computer-Aided Molecular Design|December 19, 2009
Artificial neural network study on organ-targeting peptidesEunkyoung Jung, Junhyoung Kim, Seung-Hoon Choi, et al.Journal of Computer-Aided Molecular Design|July 9, 2017
Application of a simple quantum chemical approach to ligand fragment scoring for Trypanosoma brucei pteridine reductase 1 inhibitionWiktoria Jedwabny, Joanna Panecka-Hofman, Edyta Dyguda-Kazimierowicz, et al.Journal of Computer-Aided Molecular Design|June 1, 1989
Molecular modeling of a putative antagonist binding site on helix III of the beta-adrenoceptorH W van Vlijmen, A P IJzermanJournal of Computer-Aided Molecular Design|June 14, 2014
Chemical space networks: a powerful new paradigm for the description of chemical spaceGerald M Maggiora, Jürgen BajorathJournal of Computer-Aided Molecular Design|June 12, 2014
Molecular insight of isotypes specific β-tubulin interaction of tubulin heterodimer with noscapinoidsSeneha Santoshi, Pradeep K NaikJournal of Computer-Aided Molecular Design|January 25, 2015
Pharmacophore modeling improves virtual screening for novel peroxisome proliferator-activated receptor-gamma ligandsStephanie N Lewis, Zulma Garcia, Raquel Hontecillas, et al.Journal of Computer-Aided Molecular Design|July 5, 2014
An integrated approach to knowledge-driven structure-based virtual screeningAngela M Henzler, Sascha Urbaczek, Matthias Hilbig, et al.Pageof 265