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Thomas A Darden

Showing results (1-10 of 32) with videos related to

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The Journal of Chemical Physics|July 23, 2004
Towards an accurate representation of electrostatics in classical force fields: efficient implementation of multipolar interactions in biomolecular simulationsCeleste Sagui, Lee G Pedersen, Thomas A Darden
Journal of Computational Chemistry|March 27, 2002
Predicted solution structure of zymogen human coagulation FVIILalith Perera, Thomas A Darden, Lee G Pedersen
The Journal of Biological Chemistry|April 16, 2002
Crystal structure of beta 1,3-glucuronyltransferase I in complex with active donor substrate UDP-GlcUALars C Pedersen, Thomas A Darden, Masahiko Negishi
The Journal of Chemical Physics|August 13, 2005
Intermolecular electrostatic energies using density fittingG Andrés Cisneros, Jean-Philip Piquemal, Thomas A Darden
The Journal of Chemical Physics|December 6, 2006
The free energy landscape of small peptides as obtained from metadynamics with umbrella sampling correctionsVolodymyr Babin, Christopher Roland, Thomas A Darden, et al.
The Journal of Chemical Physics|June 10, 2025
Efficient and scalable electrostatics via spherical grids and treecode summationAndrew C Simmonett, Bernard R Brooks, Thomas A Darden
The Journal of Physical Chemistry. B|June 15, 2006
Molecular dynamics simulations of DNA with polarizable force fields: convergence of an ideal B-DNA structure to the crystallographic structureVolodymyr Babin, Jason Baucom, Thomas A Darden, et al.
The Journal of Chemical Physics|July 23, 2004
Ab initio calculation of electrostatic multipoles with Wannier functions for large-scale biomolecular simulationsCeleste Sagui, Pawel Pomorski, Thomas A Darden, et al.
The Journal of Physical Chemistry. B|July 14, 2006
Quantum mechanics/molecular mechanics electrostatic embedding with continuous and discrete functionsG Andrés Cisneros, Jean-Philip Piquemal, Thomas A Darden
The Journal of Chemical Physics|November 23, 2006
Generalization of the Gaussian electrostatic model: extension to arbitrary angular momentum, distributed multipoles, and speedup with reciprocal space methodsG Andrés Cisneros, Jean-Philip Piquemal, Thomas A Darden
Pageof 4

Showing results (1-10 of 32) with videos related to

Sort By:
Pageof 4
The Journal of Chemical Physics|July 23, 2004
Towards an accurate representation of electrostatics in classical force fields: efficient implementation of multipolar interactions in biomolecular simulationsCeleste Sagui, Lee G Pedersen, Thomas A Darden
Journal of Computational Chemistry|March 27, 2002
Predicted solution structure of zymogen human coagulation FVIILalith Perera, Thomas A Darden, Lee G Pedersen
The Journal of Biological Chemistry|April 16, 2002
Crystal structure of beta 1,3-glucuronyltransferase I in complex with active donor substrate UDP-GlcUALars C Pedersen, Thomas A Darden, Masahiko Negishi
The Journal of Chemical Physics|August 13, 2005
Intermolecular electrostatic energies using density fittingG Andrés Cisneros, Jean-Philip Piquemal, Thomas A Darden
The Journal of Chemical Physics|December 6, 2006
The free energy landscape of small peptides as obtained from metadynamics with umbrella sampling correctionsVolodymyr Babin, Christopher Roland, Thomas A Darden, et al.
The Journal of Chemical Physics|June 10, 2025
Efficient and scalable electrostatics via spherical grids and treecode summationAndrew C Simmonett, Bernard R Brooks, Thomas A Darden
The Journal of Physical Chemistry. B|June 15, 2006
Molecular dynamics simulations of DNA with polarizable force fields: convergence of an ideal B-DNA structure to the crystallographic structureVolodymyr Babin, Jason Baucom, Thomas A Darden, et al.
The Journal of Chemical Physics|July 23, 2004
Ab initio calculation of electrostatic multipoles with Wannier functions for large-scale biomolecular simulationsCeleste Sagui, Pawel Pomorski, Thomas A Darden, et al.
The Journal of Physical Chemistry. B|July 14, 2006
Quantum mechanics/molecular mechanics electrostatic embedding with continuous and discrete functionsG Andrés Cisneros, Jean-Philip Piquemal, Thomas A Darden
The Journal of Chemical Physics|November 23, 2006
Generalization of the Gaussian electrostatic model: extension to arbitrary angular momentum, distributed multipoles, and speedup with reciprocal space methodsG Andrés Cisneros, Jean-Philip Piquemal, Thomas A Darden
Pageof 4