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Journal of Molecular Graphics & Modelling|March 13, 2018
Identification of novel agonists and antagonists of the ecdysone receptor by virtual screeningXueping Hu, Bin Yin, Kaat Cappelle, et al.Journal of Molecular Graphics & Modelling|February 8, 2018
Wisdom of crowds for synthetic accessibility evaluationYukino Baba, Tetsu Isomura, Hisashi KashimaJournal of Molecular Graphics & Modelling|February 8, 2018
Computational assessment of thioether isosteresRobert D Barrows, Kristin M Blacklock, Paul R Rablen, et al.Journal of Molecular Graphics & Modelling|December 31, 2017
Molecular dynamics simulation of vibrational behavior of annular graphene sheet: Identification of nonlocal parameterS H Madani, M H Sabour, M FadaeeJournal of Molecular Graphics & Modelling|December 4, 2017
Exploring the selectivity of inhibitor complexes with Bcl-2 and Bcl-XL: A molecular dynamics simulation approachNaoki Wakui, Ryunosuke Yoshino, Nobuaki Yasuo, et al.Journal of Molecular Graphics & Modelling|November 18, 2017
Molecular insight into mutation-induced conformational change in metastasic bowel cancer BRAF kinase domain and its implications for selective inhibitor designKai Zhao, Xin Zhou, Ming DingJournal of Molecular Graphics & Modelling|October 3, 2017
Long range molecular dynamics study of interactions of the eukaryotic glucosamine-6-phosphate synthase with fructose-6-phosphate and UDP-GlcNAcAleksandra Miszkiel, Marek WojciechowskiJournal of Molecular Graphics & Modelling|July 3, 2016
Prediction of three-dimensional structures and structural flexibilities of wild-type and mutant cytochrome P450 1A2 using molecular dynamics simulationsYurie Watanabe, Shuichi Fukuyoshi, Masahiro Hiratsuka, et al.Journal of Molecular Graphics & Modelling|July 4, 2016
High performance computing for three-dimensional agent-based molecular modelsG Pérez-Rodríguez, M Pérez-Pérez, F Fdez-Riverola, et al.Journal of Molecular Graphics & Modelling|December 16, 2018
Reversible hydrogen adsorption on Li-decorated T-graphene flake: The effect of electric fieldLeila Saedi, Elham Alipour, Zahra Javanshir, et al.Pageof 400