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Journal of Molecular Modeling|September 23, 2011
Structural insights into human GPCR protein OA1: a computational perspectiveAnirban Ghosh, Uddhavesh Sonavane, Sai Krishna Andhirka, et al.Journal of Molecular Modeling|September 2, 2011
Si-doped graphene: an ideal sensor for NO- or NO2-detection and metal-free catalyst for N2O-reductionYing Chen, Bo Gao, Jing-Xiang Zhao, et al.Journal of Molecular Modeling|August 31, 2011
Combinatorial screening of polymer precursors for preparation of benzo[α] pyrene imprinted polymer: an ab initio computational approachMuntazir S Khan, Prateek S Wate, Reddithota J KrupadamJournal of Molecular Modeling|August 27, 2011
Metal-metal interactions in linear tri-, penta-, hepta-, and nona-nuclear ruthenium string complexesMika Niskanen, Pipsa Hirva, Matti HaukkaJournal of Molecular Modeling|August 27, 2011
Characterization of molecular recognition of phosphoinositide-3-kinase α inhibitor through molecular dynamics simulationYiping Li, Jiye Zhang, Delong He, et al.Journal of Molecular Modeling|June 4, 2011
Time-dependent density functional theory study on the electronic excited-state hydrogen bonding of the chromophore coumarin 153 in a room-temperature ionic liquidDandan Wang, Ce Hao, Se Wang, et al.Journal of Molecular Modeling|June 14, 2011
Determination of best-fit potential parameters for a reactive force field using a genetic algorithmPoonam Pahari, Shashank ChaturvediJournal of Molecular Modeling|June 14, 2011
Virtual screening for potential inhibitors of bacterial MurC and MurD ligasesTihomir Tomašić, Andreja Kovač, Gerhard Klebe, et al.Journal of Molecular Modeling|February 22, 2012
Spectroscopic investigation and hydrogen-bonding analysis of triazinonesDevadhas Arul Dhas, Isaac Hubert Joe, Solomon Dawn Dharma Roy, et al.Journal of Molecular Modeling|January 28, 2012
A test of improved force field parameters for urea: molecular-dynamics simulations of urea crystalsGül Altınbaş Özpınar, Frank R Beierlein, Wolfgang Peukert, et al.Pageof 699