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Journal of Molecular Modeling|June 2, 2018
Molecular dynamics simulation of the folding of single alkane chains with different lengths on single-walled carbon nanotubes and grapheneYan Fang Liu, Hua Yang, Hui ZhangJournal of Molecular Modeling|March 12, 2009
Importance of oligomerisation on Pseudomonas aeruginosaLectin-II binding affinity. In silico and in vitro mutagenesisMichaela Wimmerová, Navnit Kumar Mishra, Martina Pokorná, et al.Journal of Molecular Modeling|March 6, 2009
The structure of polymer chains in confinement. A Monte Carlo studyPiotr Romiszowski, Andrzej SikorskiJournal of Molecular Modeling|March 6, 2009
Contribution of arginine-glutamate salt bridges to helix stabilityKristin D Walker, Timothy P CausgroveJournal of Molecular Modeling|March 6, 2009
Methyl 2-methoxy-7-(4-methylbenzoyl)-4-oxo-6-p-tolyl-4H-furo[3,2-c]pyran-3-carboxylate:A combined experimental and theoretical investigationNamik Ozdemir, Muharrem Dinçer, Irfan Koca, et al.Journal of Molecular Modeling|March 6, 2009
Higher order multipole moments for molecular dynamics simulationsNuria Plattner, Markus MeuwlyJournal of Molecular Modeling|May 23, 2009
DFT-based QSAR study of alkanols and alkanthiols using the conductor-like polarizable continuum model (CPCM)Khaled Azizi, Mohammad Ali Safarpour, Maryam Keykhaee, et al.Journal of Molecular Modeling|May 26, 2009
Bonding and electronic structures in W@Au₁₂AE complexes (AE= NO⁺, CO, BF, CN⁻, or BO⁻): analogies among ligands isoelectronic to carbon monoxideYi Fu, Jia Li, Shu-Guang WangJournal of Molecular Modeling|May 28, 2009
Kinetoplastid RNA editing ligases 1 and 2 exhibit different electrostatic propertiesAlireza Shaneh, Reza SalavatiJournal of Molecular Modeling|May 15, 2009
Covalent complexes of proteasome model with peptide aldehyde inhibitors MG132 and MG101: docking and molecular dynamics studySiwei Zhang, Yawei Shi, Hongwei Jin, et al.Pageof 699