Daniel R Roe
11PUBLICATIONS
87CO-AUTHORS
Get your video featured.
Publish with JoVEGet your video featured.
Publish with JoVE
Publications (11)
Sort by Publication Date:
|Apr 02, 2026
Quantifying Spatially Resolved Hydration Thermodynamics Using Grid Inhomogeneous Solvation Theory [Article v1.0].Valentin J Egger-Hoerschinger, Franz Waibl, Vjay Molino
|Jul 29, 2025
Recent Developments in Amber Biomolecular Simulations.David A Case, David S Cerutti, Vinícius Wilian D Cruzeiro
|Jun 17, 2025
CADENCE: Clustering Algorithm─Density-Based Exploration and Novelty Clustering with Efficiency.Lexin Chen, Daniel R Roe, Ramón Alain Miranda-Quintana
|May 01, 2025
Extended Quality (eQual): Radial Threshold Clustering Based on n-ary Similarity.Lexin Chen, Micah Smith, Daniel R Roe
|Oct 29, 2024
modXNA: A Modular Approach to Parametrization of Modified Nucleic Acids for Use with Amber Force Fields.Olivia Love, Rodrigo Galindo-Murillo, Daniel R Roe
|Sep 20, 2024
CHARMM at 45: Enhancements in Accessibility, Functionality, and Speed.Wonmuk Hwang, Steven L Austin, Arnaud Blondel
Pageof 2
Frequent Collaborators
3 joint publications
Ramón Alain Miranda-Quintana
2 joint publications
Carlos Simmerling
2 joint publications
Lexin Chen
2 joint publications
Thomas E Cheatham Iii
2 joint publications
Jana Shen
1 joint publications
Christina Bergonzo
1 joint publications
Tom Kurtzman
1 joint publications
Arnaud Blondel
1 joint publications
Stefan Boresch
1 joint publications
Xi Cheng
