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Hannes H Loeffler

Showing results (1-10 of 17) with videos related to

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Biophysical Journal|November 4, 2009
Collective dynamics of periplasmic glutamine binding protein upon domain closureHannes H Loeffler, Akio Kitao
Proteins|June 14, 2013
Ligand binding and dynamics of the monomeric epidermal growth factor receptor ectodomainHannes H Loeffler, Martyn D Winn
Journal of Computational Chemistry|June 24, 2003
Many-body effects on structure and dynamics of aqueous ionic solutionsHannes H Loeffler, Bernd M Rode
Journal of Chemical Information and Modeling|November 7, 2015
FESetup: Automating Setup for Alchemical Free Energy SimulationsHannes H Loeffler, Julien Michel, Christopher Woods
The Journal of Physical Chemistry. B|March 17, 2006
Water exchange dynamics of lithium(I) ion in aqueous solutionHannes H Loeffler, Yasuhiro Inada, Shigenobu Funahashi
Journal of the American Chemical Society|February 6, 2003
Structure and dynamics of metal ions in solution: QM/MM molecular dynamics simulations of Mn(2+) and V(2+)Christian F Schwenk, Hannes H Loeffler, Bernd M Rode
Journal of Computational Chemistry|June 24, 2003
A QM-MM interface between CHARMM and TURBOMOLE: implementation and application to systems in bulk phase and biologically active systemsMarkus J Loferer, Hannes H Loeffler, Klaus R Liedl
Journal of Chemical Theory and Computation|November 18, 2015
Evaluation of Selected Classical Force Fields for Alchemical Binding Free Energy Calculations of Protein-Carbohydrate ComplexesSushil K Mishra, Gaetano Calabró, Hannes H Loeffler, et al.
Journal of the American Chemical Society|July 17, 2003
Influence of backbone conformations of human carbonic anhydrase II on carbon dioxide hydration: hydration pathways and binding of bicarbonateMarkus J Loferer, Christofer S Tautermann, Hannes H Loeffler, et al.
Journal of Chemical Theory and Computation|September 3, 2024
Optimal Molecular Design: Generative Active Learning Combining REINVENT with Precise Binding Free Energy Ranking SimulationsHannes H Loeffler, Shunzhou Wan, Marco Klähn, et al.
Pageof 2

Showing results (1-10 of 17) with videos related to

Sort By:
Pageof 2
Biophysical Journal|November 4, 2009
Collective dynamics of periplasmic glutamine binding protein upon domain closureHannes H Loeffler, Akio Kitao
Proteins|June 14, 2013
Ligand binding and dynamics of the monomeric epidermal growth factor receptor ectodomainHannes H Loeffler, Martyn D Winn
Journal of Computational Chemistry|June 24, 2003
Many-body effects on structure and dynamics of aqueous ionic solutionsHannes H Loeffler, Bernd M Rode
Journal of Chemical Information and Modeling|November 7, 2015
FESetup: Automating Setup for Alchemical Free Energy SimulationsHannes H Loeffler, Julien Michel, Christopher Woods
The Journal of Physical Chemistry. B|March 17, 2006
Water exchange dynamics of lithium(I) ion in aqueous solutionHannes H Loeffler, Yasuhiro Inada, Shigenobu Funahashi
Journal of the American Chemical Society|February 6, 2003
Structure and dynamics of metal ions in solution: QM/MM molecular dynamics simulations of Mn(2+) and V(2+)Christian F Schwenk, Hannes H Loeffler, Bernd M Rode
Journal of Computational Chemistry|June 24, 2003
A QM-MM interface between CHARMM and TURBOMOLE: implementation and application to systems in bulk phase and biologically active systemsMarkus J Loferer, Hannes H Loeffler, Klaus R Liedl
Journal of Chemical Theory and Computation|November 18, 2015
Evaluation of Selected Classical Force Fields for Alchemical Binding Free Energy Calculations of Protein-Carbohydrate ComplexesSushil K Mishra, Gaetano Calabró, Hannes H Loeffler, et al.
Journal of the American Chemical Society|July 17, 2003
Influence of backbone conformations of human carbonic anhydrase II on carbon dioxide hydration: hydration pathways and binding of bicarbonateMarkus J Loferer, Christofer S Tautermann, Hannes H Loeffler, et al.
Journal of Chemical Theory and Computation|September 3, 2024
Optimal Molecular Design: Generative Active Learning Combining REINVENT with Precise Binding Free Energy Ranking SimulationsHannes H Loeffler, Shunzhou Wan, Marco Klähn, et al.
Pageof 2