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Journal of Computational Chemistry|October 29, 2018
Parallelization of CPPTRAJ enables large scale analysis of molecular dynamics trajectory dataDaniel R Roe, Thomas E Cheatham
Journal of Molecular Graphics & Modelling|January 14, 2021
Improving the speed of volumetric density map generation via cubic spline interpolationDaniel R Roe, Bernard R Brooks
Journal of Chemical Theory and Computation|March 20, 2015
Improved Generalized Born Solvent Model Parameters for Protein SimulationsHai Nguyen, Daniel R Roe, Carlos Simmerling
Journal of Molecular Biology|August 13, 2005
Folding cooperativity in a three-stranded beta-sheet modelDaniel R Roe, Viktor Hornak, Carlos Simmerling
Analytical Biochemistry|February 14, 1992
Radioactive assay of 2,4-dienoyl-coenzyme A reductaseM A Nada, C R Roe, H Schulz
The Journal of Investigative Dermatology|December 1, 1979
Hepatic enzymes of tyrosine metabolism in tyrosinemia IIL A Goldsmith, J Thorpe, C R Roe
The Journal of Physical Chemistry. B|March 15, 2014
Evaluation of enhanced sampling provided by accelerated molecular dynamics with Hamiltonian replica exchange methodsDaniel R Roe, Christina Bergonzo, Thomas E Cheatham
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