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Journal of Chemical Theory and Computation
|
December 5, 2015
Group Polarizability Model for Molecular Mechanics Energy Functions
Kim Palmo, Samuel Krimm
The Journal of Physical Chemistry. A
|
November 18, 2008
Spectroscopically determined force field for water dimer: physically enhanced treatment of hydrogen bonding in molecular mechanics energy functions
Berit Mannfors, Kim Palmo, Samuel Krimm
Journal of Computational Chemistry
|
February 7, 2007
A comparative study of molecular dynamics in Cartesian and in internal coordinates: dynamical instability in the latter caused by nonlinearity of the equations of motion
Sang-Ho Lee, Kim Palmo, Samuel Krimm
Biopolymers
|
February 26, 2003
Potential energy functions: from consistent force fields to spectroscopically determined polarizable force fields
Kim Palmo, Berit Mannfors, Noemi G Mirkin, et al.
The Journal of Physical Chemistry. B
|
July 12, 2013
Rotational relaxation in ortho-terphenyl: using atomistic simulations to bridge theory and experiment
Michael P Eastwood, Tarun Chitra, John M Jumper, et al.
Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry
|
May 26, 2007
Parameterization of peptide 13C carbonyl chemical shielding anisotropy in molecular dynamics simulations
Daniel M Jordan, K Maria Mills, Ioan Andricioaei, et al.
Proteins
|
April 22, 2010
Improved side-chain torsion potentials for the Amber ff99SB protein force field
Kresten Lindorff-Larsen, Stefano Piana, Kim Palmo, et al.
Scientific Data
|
February 11, 2021
Quantum chemical benchmark databases of gold-standard dimer interaction energies
Alexander G Donchev, Andrew G Taube, Elizabeth Decolvenaere, et al.
Page
of 1
Search research articles
Search
Showing results (1-10 of 8) with videos related to
Sort By:
Page
of 1
Journal of Chemical Theory and Computation
|
December 5, 2015
Group Polarizability Model for Molecular Mechanics Energy Functions
Kim Palmo, Samuel Krimm
The Journal of Physical Chemistry. A
|
November 18, 2008
Spectroscopically determined force field for water dimer: physically enhanced treatment of hydrogen bonding in molecular mechanics energy functions
Berit Mannfors, Kim Palmo, Samuel Krimm
Journal of Computational Chemistry
|
February 7, 2007
A comparative study of molecular dynamics in Cartesian and in internal coordinates: dynamical instability in the latter caused by nonlinearity of the equations of motion
Sang-Ho Lee, Kim Palmo, Samuel Krimm
Biopolymers
|
February 26, 2003
Potential energy functions: from consistent force fields to spectroscopically determined polarizable force fields
Kim Palmo, Berit Mannfors, Noemi G Mirkin, et al.
The Journal of Physical Chemistry. B
|
July 12, 2013
Rotational relaxation in ortho-terphenyl: using atomistic simulations to bridge theory and experiment
Michael P Eastwood, Tarun Chitra, John M Jumper, et al.
Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry
|
May 26, 2007
Parameterization of peptide 13C carbonyl chemical shielding anisotropy in molecular dynamics simulations
Daniel M Jordan, K Maria Mills, Ioan Andricioaei, et al.
Proteins
|
April 22, 2010
Improved side-chain torsion potentials for the Amber ff99SB protein force field
Kresten Lindorff-Larsen, Stefano Piana, Kim Palmo, et al.
Scientific Data
|
February 11, 2021
Quantum chemical benchmark databases of gold-standard dimer interaction energies
Alexander G Donchev, Andrew G Taube, Elizabeth Decolvenaere, et al.
Page
of 1