Daniel R. Roe
National Institutes of Health(US)National Heart Lung and Blood Institute(US)
Publications by Year
Research Areas
Protein Structure and Dynamics, DNA and Nucleic Acid Chemistry, RNA and protein synthesis mechanisms, Spectroscopy and Quantum Chemical Studies, Machine Learning in Materials Science
Most-Cited Works
- → PTRAJ and CPPTRAJ: Software for Processing and Analysis of Molecular Dynamics Trajectory Data(2013)7,355 cited
- → AmberTools(2023)1,639 cited
- → Improved Generalized Born Solvent Model Parameters for Protein Simulations(2013)556 cited
- → Best Practices for Computing Transport Properties 1. Self-Diffusivity and Viscosity from Equilibrium Molecular Dynamics [Article v1.0](2018)280 cited
- → Three-Dimensional Molecular Theory of Solvation Coupled with Molecular Dynamics in Amber(2010)260 cited
- → Parallelization of CPPTRAJ enables large scale analysis of molecular dynamics trajectory data(2018)181 cited
- Amber 2021: Reference Manual(2021)