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Journal of Computational Chemistry|January 8, 2015
Prediction of the structures of helical membrane proteins based on a minimum unfavorable contacts approachSiladitya Padhi, Siddabattula Ramakrishna, U Deva PriyakumarJournal of Computational Chemistry|October 24, 2014
Molecular dynamics simulation of configurational ensembles compatible with experimental FRET efficiency data through a restraint on instantaneous FRET efficienciesMaria M Reif, Chris OostenbrinkJournal of Computational Chemistry|December 16, 2014
k-Nearest neighbors optimization-based outlier removalAbraham Yosipof, Hanoch SenderowitzJournal of Computational Chemistry|January 8, 2015
The development of an artificial organic networks toolkit for LabVIEWHiram Ponce, Pedro Ponce, Arturo MolinaJournal of Computational Chemistry|January 8, 2015
Ionic bonding of lanthanides, as influenced by d- and f-atomic orbitals, by core-shells and by relativityWen-Xin Ji, Wei Xu, W H Eugen Schwarz, et al.Journal of Computational Chemistry|December 30, 2014
Quantum-chemistry based calibration of the alkali metal cation series (Li(+)-Cs(+)) for large-scale polarizable molecular mechanics/dynamics simulationsTodor Dudev, Mike Devereux, Markus Meuwly, et al.Journal of Computational Chemistry|December 20, 2014
An incremental isoconversional method for kinetic analysis based on the orthogonal distance regressionTibor Dubaj, Zuzana Cibulková, Peter ŠimonJournal of Computational Chemistry|December 25, 2014
Essential dynamics for the study of microstructures in liquidsMaira D'Alessando, Andrea Amadei, Mauro Stener, et al.Journal of Computational Chemistry|December 4, 2014
Assessment of hydrophobic interactions and their contributions through the analysis of the methane dimerVíctor Duarte Alaniz, Tomás Rocha-Rinza, Gabriel CuevasJournal of Computational Chemistry|December 4, 2014
New algorithms for iterative matrix-free eigensolvers in quantum chemistryDmitry Zuev, Eugene Vecharynski, Chao Yang, et al.Pageof 593