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The Journal of Physical Chemistry. B
|
March 15, 2014
Evaluation of enhanced sampling provided by accelerated molecular dynamics with Hamiltonian replica exchange methods
Daniel R Roe, Christina Bergonzo, Thomas E Cheatham
Journal of Chemical Information and Modeling
|
June 17, 2025
CADENCE: Clustering Algorithm─Density-Based Exploration and Novelty Clustering with Efficiency
Lexin Chen, Daniel R Roe, Ramón Alain Miranda-Quintana
Biochimica Et Biophysica Acta
|
September 16, 2014
Convergence and reproducibility in molecular dynamics simulations of the DNA duplex d(GCACGAACGAACGAACGC)
Rodrigo Galindo-Murillo, Daniel R Roe, Thomas E Cheatham
The Journal of Physical Chemistry. B
|
March 13, 2013
Reliable oligonucleotide conformational ensemble generation in explicit solvent for force field assessment using reservoir replica exchange molecular dynamics simulations
Niel M Henriksen, Daniel R Roe, Thomas E Cheatham
Nature Communications
|
October 30, 2014
On the absence of intrahelical DNA dynamics on the μs to ms timescale
Rodrigo Galindo-Murillo, Daniel R Roe, Thomas E Cheatham
Biorxiv : the Preprint Server for Biology
|
March 10, 2025
CADENCE: Clustering Algorithm - Density-based Exploration and Novelty Clustering with Efficiency
Lexin Chen, Daniel R Roe, Ramón Alain Miranda-Quintana
Journal of Chemical Information and Modeling
|
May 1, 2025
Extended Quality (eQual): Radial Threshold Clustering Based on <i>n</i>-ary Similarity
Lexin Chen, Micah Smith, Daniel R Roe, et al.
RNA (New York, N.Y.)
|
July 1, 2015
Highly sampled tetranucleotide and tetraloop motifs enable evaluation of common RNA force fields
Christina Bergonzo, Niel M Henriksen, Daniel R Roe, et al.
Journal of Chemical Theory and Computation
|
December 5, 2015
Improving Convergence of Replica-Exchange Simulations through Coupling to a High-Temperature Structure Reservoir
Asim Okur, Daniel R Roe, Guanglei Cui, et al.
The Journal of Physical Chemistry. B
|
January 30, 2007
Secondary structure bias in generalized Born solvent models: comparison of conformational ensembles and free energy of solvent polarization from explicit and implicit solvation
Daniel R Roe, Asim Okur, Lauren Wickstrom, et al.
Page
of 4
Search research articles
Search
Showing results (11-20 of 38) with videos related to
Sort By:
Page
of 4
The Journal of Physical Chemistry. B
|
March 15, 2014
Evaluation of enhanced sampling provided by accelerated molecular dynamics with Hamiltonian replica exchange methods
Daniel R Roe, Christina Bergonzo, Thomas E Cheatham
Journal of Chemical Information and Modeling
|
June 17, 2025
CADENCE: Clustering Algorithm─Density-Based Exploration and Novelty Clustering with Efficiency
Lexin Chen, Daniel R Roe, Ramón Alain Miranda-Quintana
Biochimica Et Biophysica Acta
|
September 16, 2014
Convergence and reproducibility in molecular dynamics simulations of the DNA duplex d(GCACGAACGAACGAACGC)
Rodrigo Galindo-Murillo, Daniel R Roe, Thomas E Cheatham
The Journal of Physical Chemistry. B
|
March 13, 2013
Reliable oligonucleotide conformational ensemble generation in explicit solvent for force field assessment using reservoir replica exchange molecular dynamics simulations
Niel M Henriksen, Daniel R Roe, Thomas E Cheatham
Nature Communications
|
October 30, 2014
On the absence of intrahelical DNA dynamics on the μs to ms timescale
Rodrigo Galindo-Murillo, Daniel R Roe, Thomas E Cheatham
Biorxiv : the Preprint Server for Biology
|
March 10, 2025
CADENCE: Clustering Algorithm - Density-based Exploration and Novelty Clustering with Efficiency
Lexin Chen, Daniel R Roe, Ramón Alain Miranda-Quintana
Journal of Chemical Information and Modeling
|
May 1, 2025
Extended Quality (eQual): Radial Threshold Clustering Based on <i>n</i>-ary Similarity
Lexin Chen, Micah Smith, Daniel R Roe, et al.
RNA (New York, N.Y.)
|
July 1, 2015
Highly sampled tetranucleotide and tetraloop motifs enable evaluation of common RNA force fields
Christina Bergonzo, Niel M Henriksen, Daniel R Roe, et al.
Journal of Chemical Theory and Computation
|
December 5, 2015
Improving Convergence of Replica-Exchange Simulations through Coupling to a High-Temperature Structure Reservoir
Asim Okur, Daniel R Roe, Guanglei Cui, et al.
The Journal of Physical Chemistry. B
|
January 30, 2007
Secondary structure bias in generalized Born solvent models: comparison of conformational ensembles and free energy of solvent polarization from explicit and implicit solvation
Daniel R Roe, Asim Okur, Lauren Wickstrom, et al.
Page
of 4