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Journal of Molecular Graphics & Modelling|June 23, 2017
Adsorption of NO2 molecules on armchair phosphorene nanosheet for nano sensor applications - A first-principles studyV Nagarajan, R ChandiramouliJournal of Molecular Graphics & Modelling|September 10, 2016
Hydration of ligands of influenza virus neuraminidase studied by the fragment molecular orbital methodKana Tokuda, Chiduru Watanabe, Yoshio Okiyama, et al.Journal of Molecular Graphics & Modelling|June 3, 2017
Prediction of crystal morphology of 3,4-Dinitro-1H-pyrazole (DNP) in different solventsLiang Song, Lizhen Chen, Jianlong Wang, et al.Journal of Molecular Graphics & Modelling|June 6, 2017
Identification of potent inhibitors of DNA methyltransferase 1 (DNMT1) through a pharmacophore-based virtual screening approachShagun Krishna, Samriddhi Shukla, Amar Deep Lakra, et al.Journal of Molecular Graphics & Modelling|October 23, 2021
Molecular simulation probes the potency of resveratrol in regulating the toxic aggregation of mutant V30M TTR fibrils in Transthyretin mediated amyloidosisG Chandrasekhar, E Srinivasan, P Chandra Sekar, et al.Journal of Molecular Graphics & Modelling|February 18, 2022
Unraveling the sequence of electron flow along the cyclocondensation reaction between ciprofloxacin and thiosemicarbazide through the bonding evolution theoryMaraf Bake Mbah, Abel Idrice Adjieufack, Charnel Nguemo Nguimkeu, et al.Journal of Molecular Graphics & Modelling|January 30, 2022
The transport properties of poly(G)-poly(C) DNA oligomers in the Harrison's modelHamze Mousavi, Mohammad BamdadJournal of Molecular Graphics & Modelling|February 13, 2022
Tuning of diphenylamine subphthalocyanine based small molecules with efficient photovoltaic parameters for organic solar cellsMuhammad Rais Aslam, Rasheed Ahmad Khera, Yaser A El-Badry, et al.Journal of Molecular Graphics & Modelling|September 23, 2021
Machine learning - Predicting Ames mutagenicity of small moleculesCharmaine S M Chu, Jack D Simpson, Paul M O'Neill, et al.Journal of Molecular Graphics & Modelling|January 25, 2022
Electrochemical and theoretical investigation on the behavior of the Co2+ ion in three eutectic solventsLucas Lima Bezerra, Francisco Gilvane Sampaio Oliveira, Luis Paulo Mourão Dos Santos, et al.Pageof 400