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Current Medicinal Chemistry|February 4, 2012
A closer look into G protein coupled receptor activation: X-ray crystallography and long-scale molecular dynamics simulationsS Vanni, U RothlisbergerBiophysical Journal|April 2, 2003
Molecular dynamics studies of caspase-3M Sulpizi, U Rothlisberger, P CarloniInorganic Chemistry|October 30, 2001
Cis-trans isomerization in triply-bonded ditungsten complexes: a multitude of possible pathwaysJ VandeVondele, A Magistrato, U RothlisbergerInorganic Chemistry|January 12, 2001
Three- and four-center trans effects in triply bonded ditungsten complexes: an ab initio molecular dynamics study of compounds with stoichiometry W2Cl4(NHEt)2(PMe3)2A Magistrato, J V Vondele, U RothlisbergerJournal of Biological Inorganic Chemistry : JBIC : a Publication of the Society of Biological Inorganic Chemistry|May 20, 2000
A comparative study of galactose oxidase and active site analogs based on QM/MM Car-Parrinello simulationsU Rothlisberger, P Carloni, K Doclo, et al.The Journal of Physical Chemistry. A|June 13, 2015
Theoretical Rationalization of the Emission Properties of Prototypical Cu(I)-Phenanthroline ComplexesG Capano, U Rothlisberger, I Tavernelli, et al.The Journal of Physical Chemistry. A|October 3, 2014
A quantum dynamics study of the ultrafast relaxation in a prototypical Cu(I)-phenanthrolineG Capano, M Chergui, U Rothlisberger, et al.Proteins|July 2, 2003
Reaction mechanism of caspases: insights from QM/MM Car-Parrinello simulationsM Sulpizi, A Laio, J VandeVondele, et al.The Journal of Physical Chemistry. A|May 4, 2017
Characterization of the Photochemical Properties of 5-Benzyluracil via Time-Dependent Density Functional TheoryM Micciarelli, B F E Curchod, S Bonella, et al.The Journal of Chemical Physics|January 10, 2013
A wavelet analysis for the X-ray absorption spectra of moleculesT J Penfold, I Tavernelli, C J Milne, et al.Pageof 2