Jaime Rodríguez-Guerra

According to our database, Jaime Rodríguez-Guerra authored at least 5 papers between 2019 and 2023.

Collaborative distances:

• Dijkstra number of five.
• Erdős number of four.

2023

TALAIA: a 3D visual dictionary for protein structures.

Mercè Alemany-Chavarria, Jaime Rodríguez-Guerra, Jean-Didier Maréchal

Bioinform., August, 2023

OpenMM 8: Molecular Dynamics Simulation with Machine Learning Potentials.

Peter K. Eastman, Raimondas Galvelis, Raúl P. Peláez, Charlles R. A. Abreu, Stephen E. Farr, Emilio Gallicchio, Anton Gorenko, Michael M. Henry, Frank Hu, Jing Huang, Andreas Krämer, Julien Michel, Joshua A. Mitchell, Vijay S. Pande, João P. G. L. M. Rodrigues, Jaime Rodríguez-Guerra, Andrew C. Simmonett, Jason M. Swails, Ivy Zhang, John D. Chodera, Gianni De Fabritiis, Thomas E. Markland

CoRR, 2023

2022

TeachOpenCADD 2022: open source and FAIR Python pipelines to assist in structural bioinformatics and cheminformatics research.

Dominique Sydow, Jaime Rodríguez-Guerra, Talia B. Kimber, David Schaller, Corey J. Taylor, Yonghui Chen, Mareike Leja, Sakshi Misra, Michele Wichmann, Armin Ariamajd, Andrea Volkamer

Nucleic Acids Res., 2022

OpenCADD-KLIFS: A Python package to fetch kinase data from the KLIFS database.

Dominique Sydow, Jaime Rodríguez-Guerra, Andrea Volkamer

J. Open Source Softw., 2022

2019

TeachOpenCADD-KNIME: A Teaching Platform for Computer-Aided Drug Design Using KNIME Workflows.

Dominique Sydow, Michele Wichmann, Jaime Rodríguez-Guerra, Daria Goldmann, Gregory A. Landrum, Andrea Volkamer

J. Chem. Inf. Model., 2019