Jove
Visualize
Contact Us
JoVE
x logofacebook logolinkedin logoyoutube logo
ABOUT JoVE
OverviewLeadershipBlogJoVE Help Center
AUTHORS
Publishing ProcessEditorial BoardScope & PoliciesPeer ReviewFAQSubmit
LIBRARIANS
TestimonialsSubscriptionsAccessResourcesLibrary Advisory BoardFAQ
RESEARCH
JoVE JournalMethods CollectionsJoVE Encyclopedia of ExperimentsArchive
EDUCATION
JoVE CoreJoVE BusinessJoVE Science EducationJoVE Lab ManualFaculty Resource CenterFaculty Site
Terms & Conditions of Use
Privacy Policy
Policies

Filters

Paul Tavan

Showing results (11-20 of 44) with videos related to

Pageof 5
Sort By:
The Journal of Chemical Physics|March 18, 2014
Electrostatics of proteins in dielectric solvent continua. II. Hamiltonian reaction field dynamicsSebastian Bauer, Paul Tavan, Gerald Mathias
European Biophysics Journal : EBJ|January 6, 2010
Highly polar environments catalyze the unfolding of PrP C helix 1Martin Lingenheil, Robert Denschlag, Paul Tavan
The Journal of Chemical Physics|March 24, 2016
A polarizable QM/MM approach to the molecular dynamics of amide groups solvated in waterMagnus Schwörer, Christoph Wichmann, Paul Tavan
The Journal of Physical Chemistry. B|January 21, 2014
Polarizable six-point water models from computational and empirical optimizationPhilipp Tröster, Konstantin Lorenzen, Paul Tavan
The Journal of Physical Chemistry. B|April 24, 2010
Spectroscopic polarizable force field for amide groups in polypeptidesBernhard Schropp, Christoph Wichmann, Paul Tavan
The Journal of Chemical Physics|March 18, 2014
Electrostatics of proteins in dielectric solvent continua. I. An accurate and efficient reaction field descriptionSebastian Bauer, Gerald Mathias, Paul Tavan
Journal of Chemical Theory and Computation|November 21, 2015
Including the Dispersion Attraction into Structure-Adapted Fast Multipole Expansions for MD SimulationsKonstantin Lorenzen, Christoph Wichmann, Paul Tavan
The Journal of Chemical Physics|November 17, 2015
Linearly scaling and almost Hamiltonian dielectric continuum molecular dynamics simulations through fast multipole expansionsKonstantin Lorenzen, Gerald Mathias, Paul Tavan
The Journal of Physical Chemistry. A|February 23, 2012
Vibrational spectra of phosphate ions in aqueous solution probed by first-principles molecular dynamicsJoost VandeVondele, Philipp Tröster, Paul Tavan, et al.
The Journal of Physical Chemistry. B|September 6, 2011
DFT/MM description of flavin IR spectra in BLUF domainsBenjamin Rieff, Sebastian Bauer, Gerald Mathias, et al.
Pageof 5

Showing results (11-20 of 44) with videos related to

Sort By:
Pageof 5
The Journal of Chemical Physics|March 18, 2014
Electrostatics of proteins in dielectric solvent continua. II. Hamiltonian reaction field dynamicsSebastian Bauer, Paul Tavan, Gerald Mathias
European Biophysics Journal : EBJ|January 6, 2010
Highly polar environments catalyze the unfolding of PrP C helix 1Martin Lingenheil, Robert Denschlag, Paul Tavan
The Journal of Chemical Physics|March 24, 2016
A polarizable QM/MM approach to the molecular dynamics of amide groups solvated in waterMagnus Schwörer, Christoph Wichmann, Paul Tavan
The Journal of Physical Chemistry. B|January 21, 2014
Polarizable six-point water models from computational and empirical optimizationPhilipp Tröster, Konstantin Lorenzen, Paul Tavan
The Journal of Physical Chemistry. B|April 24, 2010
Spectroscopic polarizable force field for amide groups in polypeptidesBernhard Schropp, Christoph Wichmann, Paul Tavan
The Journal of Chemical Physics|March 18, 2014
Electrostatics of proteins in dielectric solvent continua. I. An accurate and efficient reaction field descriptionSebastian Bauer, Gerald Mathias, Paul Tavan
Journal of Chemical Theory and Computation|November 21, 2015
Including the Dispersion Attraction into Structure-Adapted Fast Multipole Expansions for MD SimulationsKonstantin Lorenzen, Christoph Wichmann, Paul Tavan
The Journal of Chemical Physics|November 17, 2015
Linearly scaling and almost Hamiltonian dielectric continuum molecular dynamics simulations through fast multipole expansionsKonstantin Lorenzen, Gerald Mathias, Paul Tavan
The Journal of Physical Chemistry. A|February 23, 2012
Vibrational spectra of phosphate ions in aqueous solution probed by first-principles molecular dynamicsJoost VandeVondele, Philipp Tröster, Paul Tavan, et al.
The Journal of Physical Chemistry. B|September 6, 2011
DFT/MM description of flavin IR spectra in BLUF domainsBenjamin Rieff, Sebastian Bauer, Gerald Mathias, et al.
Pageof 5