Jaime Rodríguez-Guerra

Publication Activity (10 Years)

Years Active: 2019-2023
Publications (10 Years): 5

Top Topics

Protein Structure

Molecular Dynamics

Top Venues

J. Chem. Inf. Model.

Nucleic Acids Res.

Publications

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
OpenMM 8: Molecular Dynamics Simulation with Machine Learning Potentials. CoRR (2023)
Mercè Alemany-Chavarria, Jaime Rodríguez-Guerra, Jean-Didier Maréchal
TALAIA: a 3D visual dictionary for protein structures. Bioinform. 39 (8) (2023)
Dominique Sydow, Jaime Rodríguez-Guerra, Andrea Volkamer
OpenCADD-KLIFS: A Python package to fetch kinase data from the KLIFS database. J. Open Source Softw. 7 (69) (2022)
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
TeachOpenCADD 2022: open source and FAIR Python pipelines to assist in structural bioinformatics and cheminformatics research. Nucleic Acids Res. 50 (W1) (2022)
Dominique Sydow, Michele Wichmann, Jaime Rodríguez-Guerra, Daria Goldmann, Gregory A. Landrum, Andrea Volkamer
TeachOpenCADD-KNIME: A Teaching Platform for Computer-Aided Drug Design Using KNIME Workflows. J. Chem. Inf. Model. 59 (10) (2019)