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Journal of Molecular Graphics & Modelling|October 23, 2012
Teach-Discover-Treat (TDT): collaborative computational drug discovery for neglected diseasesJohanna M Jansen, Wendy Cornell, Y Jane Tseng, et al.Journal of Molecular Graphics & Modelling|October 23, 2012
Structure-based de novo design of Eya2 phosphatase inhibitorsHwangseo Park, Seong Eon Ryu, Seung Jun KimJournal of Molecular Graphics & Modelling|May 14, 2023
Molecular dynamics simulation of ssDNA and cationic polythiopheneNehir Nalıncı Barbak, Erman Kıbrıs, Fethi Can Demirci, et al.Journal of Molecular Graphics & Modelling|June 9, 2014
Quantum chemical characterization of zwitterionic structures: Supramolecular complexes for modifying the wettability of oil-water-limestone systemErnesto Lopez-Chavez, Alberto Garcia-Quiroz, Gerardo Gonzalez-Garcia, et al.Journal of Molecular Graphics & Modelling|February 18, 2015
Structure based virtual screening to identify selective phosphodiesterase 4B inhibitorsRahul P Gangwal, Mangesh V Damre, Nihar R Das, et al.Journal of Molecular Graphics & Modelling|February 21, 2015
Mutual influence between anion-π and pnicogen bond interactions: the enhancement of P⋯N and P⋯O interactions by an anion-π bondMehdi D Esrafili, Fariba Mohammadian-Sabet, Mohammad SolimannejadJournal of Molecular Graphics & Modelling|February 21, 2015
Local elastic constants of LacI and implications for allosteryAndre A S T Ribeiro, Vanessa OrtizJournal of Molecular Graphics & Modelling|May 27, 2014
Exploring molecular structures, orbital interactions, intramolecular proton-transfer reaction kinetics, electronic transitions and complexation of 3-hydroxycoumarin species using DFT methodsNuttawisit Yasarawan, Khajadpai Thipyapong, Vithaya RuangpornvisutiJournal of Molecular Graphics & Modelling|May 27, 2014
Mechanistic investigation of the reactivity of disilene with nitrous oxide: A DFT studyBholanath Maity, Debasis KoleyJournal of Molecular Graphics & Modelling|May 27, 2014
Group-based QSAR and molecular dynamics mechanistic analysis revealing the mode of action of novel piperidinone derived protein-protein inhibitors of p53-MDM2Sukriti Goyal, Sonam Grover, Jaspreet Kaur Dhanjal, et al.Pageof 408