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Journal of Molecular Graphics & Modelling|July 26, 2019
Parallel cascade selection molecular dynamics to screen for protein complexes generated by rigid dockingRyuhei Harada, Ryunosuke Yoshino, Hiroaki Nishizawa, et al.Journal of Molecular Graphics & Modelling|February 20, 2017
Effects of metal-ion replacement on pyrazinamidase activity: A quantum mechanical studyMahmoud Khadem-Maaref, Faramarz Mehrnejad, Arash PhirouzniaJournal of Molecular Graphics & Modelling|July 15, 2019
Quantum chemical studies on the mechanistic aspects of tandem sequential cycloaddition reactions of cyclooctatetraene with ester and nitronesErnest Opoku, Richard Tia, Evans AdeiJournal of Molecular Graphics & Modelling|March 25, 2019
In silico profiling the interaction mechanism of 2,5-diketopiperazine derivatives as oxytocin antagonistsMing Yang, Jianghe Luo, Zhumei Zeng, et al.Journal of Molecular Graphics & Modelling|March 22, 2019
Discovery of small molecule binders of human FSHR(TMD) with novel structural scaffolds by integrating structural bioinformatics and machine learning algorithmsBhawana Sahu, Sanchi Shah, Kaushiki Prabhudesai, et al.Journal of Molecular Graphics & Modelling|January 21, 2017
Molecular modeling study of CP-690550 derivatives as JAK3 kinase inhibitors through combined 3D-QSAR, molecular docking, and dynamics simulation techniquesJing Li Wang, Li Ping Cheng, Tian Chi Wang, et al.Journal of Molecular Graphics & Modelling|January 17, 2017
Enhancing 4-propylheptane dissociation with nickel nanocluster based on molecular dynamics simulationsMargarita G Ilyina, Edward M Khamitov, Rail N Galiakhmetov, et al.Journal of Molecular Graphics & Modelling|January 17, 2017
Computational exploration of regioselectivity and atmospheric lifetime in NO3-initiated reactions of CH3OCH3 and CH3OCH2CH3Jin-Ting Ye, Feng-Yang Bai, Shao-Qing Shi, et al.Journal of Molecular Graphics & Modelling|November 15, 2016
Conf-VLKA: A structure-based revisitation of the Virtual Lock-and-key ApproachMarco Tutone, Ugo Perricone, Anna Maria AlmericoJournal of Molecular Graphics & Modelling|April 23, 2017
Molecular dynamics simulation studies of novel β-lactamase inhibitorFarhan Ul Haq, Asma Abro, Saad Raza, et al.Pageof 401