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Journal of Computational Chemistry|June 9, 2009
Comparison of three enveloping distribution sampling Hamiltonians for the estimation of multiple free energy differences from a single simulationClara D Christ, Wilfred F Van GunsterenThe Journal of Chemical Physics|May 10, 2008
Multiple free energies from a single simulation: extending enveloping distribution sampling to nonoverlapping phase-space distributionsClara D Christ, Wilfred F van GunsterenJournal of Chemical Theory and Computation|November 27, 2015
Simple, Efficient, and Reliable Computation of Multiple Free Energy Differences from a Single Simulation: A Reference Hamiltonian Parameter Update Scheme for Enveloping Distribution Sampling (EDS)Clara D Christ, Wilfred F van GunsterenThe Journal of Chemical Physics|May 19, 2007
Enveloping distribution sampling: a method to calculate free energy differences from a single simulationClara D Christ, Wilfred F van GunsterenChemphyschem : a European Journal of Chemical Physics and Physical Chemistry|June 20, 2007
Free energy calculations using flexible-constrained, hard-constrained and non-constrained molecular dynamics simulationsMarkus Christen, Clara D Christ, Wilfred F van GunsterenJournal of Computational Chemistry|December 25, 2009
Basic ingredients of free energy calculations: a reviewClara D Christ, Alan E Mark, Wilfred F van GunsterenThe Journal of Chemical Physics|July 20, 2011
Comparison of enveloping distribution sampling and thermodynamic integration to calculate binding free energies of phenylethanolamine N-methyltransferase inhibitorsSereina Riniker, Clara D Christ, Niels Hansen, et al.Angewandte Chemie (International Ed. in English)|December 4, 2012
The seven sins in academic behavior in the natural sciencesWilfred F van GunsterenThe Journal of Physical Chemistry. B|November 2, 2011
Calculation of relative free energies for ligand-protein binding, solvation, and conformational transitions using the GROMOS softwareSereina Riniker, Clara D Christ, Halvor S Hansen, et al.Journal of Molecular Biology|January 29, 2002
Simulations of apo and holo-fatty acid binding protein: structure and dynamics of protein, ligand and internal waterDirk Bakowies, Wilfred F van GunsterenPageof 25