Thomas E. Cheatham
Orcid: 0000-0003-0298-3904
According to our database1,
Thomas E. Cheatham
authored at least 38 papers
between 1966 and 2023.
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Bibliography
2023
J. Chem. Inf. Model., April, 2023
Proceedings of the Practice and Experience in Advanced Research Computing, 2023
2022
Building the Research Innovation Workforce: Challenges and Recommendations from a Virtual Workshop to Advance the Research Computing Community✱.
Proceedings of the PEARC '22: Practice and Experience in Advanced Research Computing, Boston, MA, USA, July 10, 2022
2021
Comput. Sci. Eng., 2021
Proceedings of the PEARC '21: Practice and Experience in Advanced Research Computing, 2021
2020
Proceedings of the PEARC '20: Practice and Experience in Advanced Research Computing, 2020
Leveraging a research computing and data capabilities model for strategic decision-making.
Proceedings of the PEARC Companion '20: Practice and Experience in Advanced Research Computing, 2020
Fostering Collaboration Among Organizations in the Research Computing and Data Ecosystem.
Proceedings of the PEARC '20: Practice and Experience in Advanced Research Computing, 2020
2019
Assessment of financial returns on investments in cyberinfrastructure facilities: A survey of current methods.
Proceedings of the Practice and Experience in Advanced Research Computing on Rise of the Machines (learning), 2019
Improving regional cyberinfrastructure services through collaboration: Cyberteam for the Rocky Mountain Advanced Computing Consortium.
Proceedings of the Practice and Experience in Advanced Research Computing on Rise of the Machines (learning), 2019
2018
Parallelization of CPPTRAJ enables large scale analysis of molecular dynamics trajectory data.
J. Comput. Chem., 2018
Proceedings of the 47th International Conference on Parallel Processing, 2018
2017
Influence of BII Backbone Substates on DNA Twist: A Unified View and Comparison of Simulation and Experiment for All 136 Distinct Tetranucleotide Sequences.
J. Chem. Inf. Model., 2017
Proceedings of the Languages and Compilers for Parallel Computing, 2017
2016
Using Wavelet Analysis To Assist in Identification of Significant Events in Molecular Dynamics Simulations.
J. Chem. Inf. Model., 2016
2015
The Impact of Heterogeneous Computing on Workflows for Biomolecular Simulation and Analysis.
Comput. Sci. Eng., 2015
2014
J. Chem. Inf. Model., 2014
Structural and Energetic Analysis of 2-Aminobenzimidazole Inhibitors in Complex with the Hepatitis C Virus IRES RNA Using Molecular Dynamics Simulations.
J. Chem. Inf. Model., 2014
Data model, dictionaries, and desiderata for biomolecular simulation data indexing and sharing.
J. Cheminformatics, 2014
2013
iBIOMES: Managing and Sharing Biomolecular Simulation Data in a Distributed Environment.
J. Chem. Inf. Model., 2013
2012
Quantum mechanically derived AMBER-compatible heme parameters for various states of the cytochrome P450 catalytic cycle.
J. Comput. Chem., 2012
2011
RNA structure refinement and force field evaluation using molecular dynamics simulations.
Proceedings of the 2011 TeraGrid Conference - Extreme Digital Discovery, 2011
2006
Computational Science and Engineering Online (CSE-Online): A Cyber-Infrastructure for Scientific Computing.
J. Chem. Inf. Model., 2006
2005
1998
The flying ice cube: Velocity rescaling in molecular dynamics leads to violation of energy equipartition.
J. Comput. Chem., 1998
1997
Adventures in Improving the Scaling and Accuracy of a Parallel Molecular Dynamics Program.
J. Supercomput., 1997
Particle-Mesh Based Methods for Fast Ewald Summation in Molecular Dynamics Simulations.
Proceedings of the Eighth SIAM Conference on Parallel Processing for Scientific Computing, 1997
1995
Proceedings of the Languages and Compilers for Parallel Computing, 1995
Proceedings of the 28th Annual Hawaii International Conference on System Sciences (HICSS-28), 1995
1994
Supporting multiple evolving compilers.
Proceedings of the SEKE'94, 1994
H-BSP - A General Purpose Parallel Computing Environment.
Proceedings of the Technology and Foundations - Information Processing '94, Volume 1, Proceedings of the IFIP 13th World Computer Congress, Hamburg, Germany, 28 August, 1994
Proceedings of the Compiler Construction, 5th International Conference, 1994
1993
Proceedings of the Proceedings Supercomputing '93, 1993
1992
A Suite of Optimizers Based on Abstract Interpretation.
Proceedings of the PEPM'92, 1992
1991
Efficient Execution of Homogeneous Tasks with Unequal Run Times on the Connection Machine.
Proceedings of the International Conference on Parallel Processing, 1991
1990
Proceedings of the Second IEEE Symposium on Parallel and Distributed Processing, 1990
1966