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Journal of Computer-Aided Molecular Design|July 14, 2019
Structure based design of selective SHP2 inhibitors by De novo design, synthesis and biological evaluationWen-Shan Liu, Wen-Yan Jin, Liang Zhou, et al.Journal of Computer-Aided Molecular Design|December 1, 1991
Reaction mechanisms in peptide synthesis. Part 1. Semiquantitative characteristics of the reactivity of 2-methyl-5(4H)-oxazolone with water and ammonia in the gas phase and weakly polar mediaJ Ciarkowski, F M Chen, N L BenoitonJournal of Computer-Aided Molecular Design|February 8, 2008
Quantitative structure-activity relationship studies of mushroom tyrosinase inhibitorsChao-Bin Xue, Wan-Chun Luo, Qi Ding, et al.Journal of Computer-Aided Molecular Design|January 30, 2014
Exhaustive docking and solvated interaction energy scoring: lessons learned from the SAMPL4 challengeHervé Hogues, Traian Sulea, Enrico O PurisimaJournal of Computer-Aided Molecular Design|March 28, 2019
Systematic computational identification of promiscuity cliff pathways formed by inhibitors of the human kinomeFilip Miljković, Martin Vogt, Jürgen BajorathJournal of Computer-Aided Molecular Design|October 30, 2012
Identification of tissue-specific targeting peptideEunkyoung Jung, Nam Kyung Lee, Sang-Kee Kang, et al.Journal of Computer-Aided Molecular Design|January 21, 2014
Incorporating significant amino acid pairs and protein domains to predict RNA splicing-related proteins with functional rolesJustin Bo-Kai Hsu, Kai-Yao Huang, Tzu-Ya Weng, et al.Journal of Computer-Aided Molecular Design|November 3, 2012
Virtual and experimental high-throughput screening (HTS) in search of novel inosine 5'-monophosphate dehydrogenase II (IMPDH II) inhibitorsTorsten Dunkern, Arati Prabhu, Prashant S Kharkar, et al.Journal of Computer-Aided Molecular Design|June 27, 2014
H-DROP: an SVM based helical domain linker predictor trained with features optimized by combining random forest and stepwise selectionTeppei Ebina, Ryosuke Suzuki, Ryotaro Tsuji, et al.Journal of Computer-Aided Molecular Design|June 6, 2014
Confidence limits, error bars and method comparison in molecular modeling. Part 1: the calculation of confidence intervalsA NichollsPageof 265