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Rosa E Bulo

Showing results (1-10 of 20) with videos related to

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Journal of Chemical Theory and Computation|June 6, 2018
Accurate Quantum Mechanics/Molecular Mechanics Simulation of Aqueous Solutions with Tailored Molecular Mechanics ModelsTao Jiang, Stanislav Simko, Rosa E Bulo
The Journal of Chemical Physics|August 28, 2012
Energy extrapolation schemes for adaptive multi-scale molecular dynamics simulationsPaul Fleurat-Lessard, Carine Michel, Rosa E Bulo
The Journal of Physical Chemistry. A|February 28, 2008
NMR solvent shifts of acetonitrile from frozen density embedding calculationsRosa E Bulo, Christoph R Jacob, Lucas Visscher
Journal of Chemical Theory and Computation|February 14, 2018
Explicit Solvation Matters: Performance of QM/MM Solvation Models in Nucleophilic AdditionJelle M Boereboom, Paul Fleurat-Lessard, Rosa E Bulo
Journal of Chemical Theory and Computation|December 1, 2015
Toward a Practical Method for Adaptive QM/MM SimulationsRosa E Bulo, Bernd Ensing, Jetze Sikkema, et al.
Macromolecular Bioscience|February 14, 2007
Modeling of bovine type-I collagen fibrils: interaction with pickling and retanning agentsRosa E Bulo, Lorenz Siggel, Ferenc Molnar, et al.
Journal of Chemical Theory and Computation|June 23, 2016
Toward Hamiltonian Adaptive QM/MM: Accurate Solvent Structures Using Many-Body PotentialsJelle M Boereboom, Raffaello Potestio, Davide Donadio, et al.
Journal of the American Chemical Society|November 15, 2002
Vinylphosphirane-phospholene rearrangements: pericyclic [1,3]-sigmatropic shifts or not?Rosa E Bulo, Andreas W Ehlers, Stefan Grimme, et al.
Journal of Chemical Theory and Computation|November 24, 2015
Multiscale Modeling of Chemistry in Water: Are We There Yet?Rosa E Bulo, Carine Michel, Paul Fleurat-Lessard, et al.
Physical Chemistry Chemical Physics : PCCP|August 25, 2010
Recent progress in adaptive multiscale molecular dynamics simulations of soft matterSteven O Nielsen, Rosa E Bulo, Preston B Moore, et al.
Pageof 2

Showing results (1-10 of 20) with videos related to

Sort By:
Pageof 2
Journal of Chemical Theory and Computation|June 6, 2018
Accurate Quantum Mechanics/Molecular Mechanics Simulation of Aqueous Solutions with Tailored Molecular Mechanics ModelsTao Jiang, Stanislav Simko, Rosa E Bulo
The Journal of Chemical Physics|August 28, 2012
Energy extrapolation schemes for adaptive multi-scale molecular dynamics simulationsPaul Fleurat-Lessard, Carine Michel, Rosa E Bulo
The Journal of Physical Chemistry. A|February 28, 2008
NMR solvent shifts of acetonitrile from frozen density embedding calculationsRosa E Bulo, Christoph R Jacob, Lucas Visscher
Journal of Chemical Theory and Computation|February 14, 2018
Explicit Solvation Matters: Performance of QM/MM Solvation Models in Nucleophilic AdditionJelle M Boereboom, Paul Fleurat-Lessard, Rosa E Bulo
Journal of Chemical Theory and Computation|December 1, 2015
Toward a Practical Method for Adaptive QM/MM SimulationsRosa E Bulo, Bernd Ensing, Jetze Sikkema, et al.
Macromolecular Bioscience|February 14, 2007
Modeling of bovine type-I collagen fibrils: interaction with pickling and retanning agentsRosa E Bulo, Lorenz Siggel, Ferenc Molnar, et al.
Journal of Chemical Theory and Computation|June 23, 2016
Toward Hamiltonian Adaptive QM/MM: Accurate Solvent Structures Using Many-Body PotentialsJelle M Boereboom, Raffaello Potestio, Davide Donadio, et al.
Journal of the American Chemical Society|November 15, 2002
Vinylphosphirane-phospholene rearrangements: pericyclic [1,3]-sigmatropic shifts or not?Rosa E Bulo, Andreas W Ehlers, Stefan Grimme, et al.
Journal of Chemical Theory and Computation|November 24, 2015
Multiscale Modeling of Chemistry in Water: Are We There Yet?Rosa E Bulo, Carine Michel, Paul Fleurat-Lessard, et al.
Physical Chemistry Chemical Physics : PCCP|August 25, 2010
Recent progress in adaptive multiscale molecular dynamics simulations of soft matterSteven O Nielsen, Rosa E Bulo, Preston B Moore, et al.
Pageof 2