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Journal of Molecular Graphics & Modelling|May 6, 2014
Computational study of protein secondary structure elements: Ramachandran plots revisitedFrancisco Carrascoza, Snezana Zaric, Radu Silaghi-DumitrescuJournal of Molecular Graphics & Modelling|May 6, 2014
Molecular dynamics analysis of the interaction between the human BCL6 BTB domain and its SMRT, NcoR and BCOR corepressors: the quest for a consensus dynamic pharmacophoreJ M Granadino-Roldán, C Obiol-Pardo, M Pinto, et al.Journal of Molecular Graphics & Modelling|April 26, 2014
Molecular dynamics simulations of mutated Mycobacterium tuberculosis L-alanine dehydrogenase to illuminate the role of key residuesBaoping Ling, Siwei Bi, Min Sun, et al.Journal of Molecular Graphics & Modelling|April 29, 2014
Solvent effect on the crystal morphology of 2,6-diamino-3,5-dinitropyridine-1-oxide: a molecular dynamics simulation studyWenyan Shi, Mingzhu Xia, Wu Lei, et al.Journal of Molecular Graphics & Modelling|April 29, 2014
Theoretical investigation on gas-phase reaction of CF3CH2OCH3 with OH radicals and fate of alkoxy radicals (CF3CH(O•)OCH3/CF3CH2OCH2O•)Bhupesh Kumar Mishra, Makroni Lily, Ramesh Chandra Deka, et al.Journal of Molecular Graphics & Modelling|October 4, 2016
Identification of non-resistant ROS-1 inhibitors using structure based pharmacophore analysisDisha Pathak, Navriti Chadha, Om SilakariJournal of Molecular Graphics & Modelling|October 4, 2016
Molecular simulation study on concentration effects of rofecoxib with POPC bilayerHuanjie Wang, Fancui MengJournal of Molecular Graphics & Modelling|April 1, 2014
Enhanced stability of a naringenin/2,6-dimethyl β-cyclodextrin inclusion complex: molecular dynamics and free energy calculations based on MM- and QM-PBSA/GBSAWaratchada Sangpheak, Wasinee Khuntawee, Peter Wolschann, et al.Journal of Molecular Graphics & Modelling|April 7, 2012
In silico prediction of toxic action mechanisms of phenols for imbalanced data with Random Forest learnerJing Chen, Yuan Yan Tang, Bin Fang, et al.Journal of Molecular Graphics & Modelling|April 7, 2012
Computational study on the inhibition mechanism of cruzain by nitrile-containing moleculesOscar Méndez-Lucio, Antonio Romo-Mancillas, José L Medina-Franco, et al.Pageof 402