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Journal of Molecular Modeling|April 16, 2013
Gene identification and comparative molecular modeling of a Trypanosoma rangeli major surface proteasePaulo H M Calixto, Mainá Bitar, Keila A M Ferreira, et al.Journal of Molecular Modeling|March 5, 2013
Why tazobactam and sulbactam have different intermediates population with SHV-1 β-lactamase: a molecular dynamics studyRui Li, Yeng-Tseng Wang, Cheng-Lung ChenJournal of Molecular Modeling|February 13, 2013
Parametrization scheme with accuracy and transferability for tight-binding electronic structure calculations with extended Hückel approximation and molecular dynamics simulationsShinya Nishino, Takeo FujiwaraJournal of Molecular Modeling|February 15, 2013
A comparative study on carbon, boron-nitride, boron-phosphide and silicon-carbide nanotubes based on surface electrostatic potentials and average local ionization energiesMehdi D Esrafili, Hadi BehzadiJournal of Molecular Modeling|February 20, 2013
Prodrugs for masking bitter taste of antibacterial drugs--a computational approachRafik KaramanJournal of Molecular Modeling|March 13, 2013
An implementation of hydrophobic force in implicit solvent molecular dynamics simulation for packed proteinsLi L Duan, Tong Zhu, Ye Mei, et al.Journal of Molecular Modeling|March 13, 2013
Representing descriptors derived from multiple conformations as uncertain features for machine learningUlf Norinder, Henrik BoströmJournal of Molecular Modeling|February 5, 2013
Molecular dynamics study of hell's gate globin I (HGbI) from a methanotrophic extremophile: oxygen migration through a large cavityE Irene Newhouse, James S Newhouse, Maqsudul AlamJournal of Molecular Modeling|February 8, 2013
Density functional studies of the stepwise substitution of pyrrole, furan, and thiophene with BCOXiao-Fang Qin, Feng Wang, Hai-Shun WuJournal of Molecular Modeling|February 2, 2013
DFT comparison of the OH-initiated degradation mechanisms for five chlorophenoxy herbicidesXiaohua Ren, Youmin Sun, Xiaowen Fu, et al.Pageof 695