Publications by authors named "Kim Palmo"

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Quantum chemical benchmark databases of gold-standard dimer interaction energies.
Alexander G Donchev, Andrew G Taube, Elizabeth Decolvenaere, Cory Hargus, Robert T McGibbon, Kim Palmo

Sci Data· February 2021

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Rotational relaxation in ortho-terphenyl: using atomistic simulations to bridge theory and experiment.
Michael P Eastwood, Tarun Chitra, John M Jumper, Kim Palmo, Albert C Pan

J Phys Chem B· October 2013

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Improved side-chain torsion potentials for the Amber ff99SB protein force field.
Kresten Lindorff-Larsen, Stefano Piana, Kim Palmo, Paul Maragakis, John L Klepeis

Proteins· June 2010

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Spectroscopically determined force field for water dimer: physically enhanced treatment of hydrogen bonding in molecular mechanics energy functions.
Berit Mannfors, Kim Palmo, Samuel Krimm

J Phys Chem A· December 2008

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Group Polarizability Model for Molecular Mechanics Energy Functions.
Kim Palmo, Samuel Krimm

J Chem Theory Comput· November 2007

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Parameterization of peptide 13C carbonyl chemical shielding anisotropy in molecular dynamics simulations.
Daniel M Jordan, K Maria Mills, Ioan Andricioaei, Akash Bhattacharya, Kim Palmo

Chemphyschem· June 2007

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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

J Comput Chem· April 2007

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Potential energy functions: from consistent force fields to spectroscopically determined polarizable force fields.
Kim Palmo, Berit Mannfors, Noemi G Mirkin, Samuel Krimm

Biopolymers· March 2003

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