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Disambiguation of "Roe, Daniel R."

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PTRAJ and CPPTRAJ: Software for Processing and Analysis of Molecular Dynamics Trajectory Data

, and . Journal of Chemical Theory and Computation, 9 (7): 3084-3095 (2013)PMID: 26583988.
DOI: 10.1021/ct400341p

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Adam Roe

Paul Roe

Chris Roe

Daniel R Streett

Daniel R Clerc

 

Other publications of authors with the same name

Evaluation of DOCK 6 as a pose generation and database enrichment tool., , , , , and . J. Comput. Aided Mol. Des., 26 (6): 749-773 (2012)Parallelization of CPPTRAJ enables large scale analysis of molecular dynamics trajectory data., and . J. Comput. Chem., 39 (25): 2110-2117 (2018)Using Wavelet Analysis To Assist in Identification of Significant Events in Molecular Dynamics Simulations., , , , and . J. Chem. Inf. Model., 56 (7): 1282-1291 (2016)MPI-parallelization of the grid inhomogeneous solvation theory calculation., and . J. Comput. Chem., 45 (10): 633-637 (April 2024)Data model, dictionaries, and desiderata for biomolecular simulation data indexing and sharing., , , and . J. Cheminformatics, 6 (1): 4 (2014)Polyhedral Compilation Support for C++ Features: A Case Study with CPPTRAJ., , , and . LCPC, volume 11403 of Lecture Notes in Computer Science, page 26-35. Springer, (2017)prepareforleap: An automated tool for fast PDB-to-parameter generation., and . J. Comput. Chem., 43 (13): 930-935 (2022)AmberTools., , , , , , , , , and 37 other author(s). J. Chem. Inf. Model., 63 (20): 6183-6191 (October 2023)The Impact of Heterogeneous Computing on Workflows for Biomolecular Simulation and Analysis., and . Comput. Sci. Eng., 17 (2): 30-39 (2015)PTRAJ and CPPTRAJ: Software for Processing and Analysis of Molecular Dynamics Trajectory Data, and . Journal of Chemical Theory and Computation, 9 (7): 3084-3095 (2013)PMID: 26583988.