Jaime Rodríguez-Guerra

Publications (5)

Lessons learned during the journey of data: from experiment to model for predicting kinase affinity, selectivity, polypharmacology, and resistance.

bioRxiv : the preprint server for biology

Avec: Raquel López-Ríos de Castro , Jaime Rodríguez-Guerra , David Schaller , Talia B Kimber , Corey Taylor , Jessica B White , Michael Backenköhler , Alexander Payne , Ben Kaminow , Iván Pulido , Sukrit Singh , Paula Linh Kramer , Guillermo Pérez-Hernández , Andrea Volkamer , John D Chodera

Discovery of processive catalysis by an exo-hydrolase with a pocket-shaped active site.

Nature communications

Avec: Victor A Streltsov , Sukanya Luang , Alys Peisley , Joseph N Varghese , James R Ketudat Cairns , Sebastien Fort , Marcel Hijnen , Igor Tvaroška , Ana Ardá , Jesús Jiménez-Barbero , Mercedes Alfonso-Prieto , Carme Rovira , Fernanda Mendoza , Laura Tiessler-Sala , José-Emilio Sánchez-Aparicio , Jaime Rodríguez-Guerra , José M Lluch , Jean-Didier Maréchal , Laura Masgrau , Maria Hrmova

TALAIA: a 3D visual dictionary for protein structures.

Bioinformatics (Oxford, England)

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

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

Journal of chemical information and modeling

Avec: Dominique Sydow , Michele Wichmann , Jaime Rodríguez-Guerra , Daria Goldmann , Gregory Landrum , Andrea Volkamer

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

Nucleic acids research

Avec: 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

Réseau de co-auteurs

Andrea Volkamer 3 collaborations

David Schaller 2 collaborations

Talia B Kimber 2 collaborations

Jean-Didier Maréchal 2 collaborations

Dominique Sydow 2 collaborations

Michele Wichmann 2 collaborations

Raquel López-Ríos de Castro 1 collaboration

Corey Taylor 1 collaboration

Jessica B White 1 collaboration

Michael Backenköhler 1 collaboration

Alexander Payne 1 collaboration

Ben Kaminow 1 collaboration

Iván Pulido 1 collaboration

Sukrit Singh 1 collaboration

Paula Linh Kramer 1 collaboration

Guillermo Pérez-Hernández 1 collaboration

John D Chodera 1 collaboration

Victor A Streltsov 1 collaboration

Sukanya Luang 1 collaboration

Alys Peisley 1 collaboration

Joseph N Varghese 1 collaboration

James R Ketudat Cairns 1 collaboration

Sebastien Fort 1 collaboration

Marcel Hijnen 1 collaboration

Igor Tvaroška 1 collaboration

Ana Ardá 1 collaboration

Jesús Jiménez-Barbero 1 collaboration

Mercedes Alfonso-Prieto 1 collaboration

Carme Rovira 1 collaboration

Fernanda Mendoza 1 collaboration

Laura Tiessler-Sala 1 collaboration

José-Emilio Sánchez-Aparicio 1 collaboration

José M Lluch 1 collaboration

Laura Masgrau 1 collaboration

Maria Hrmova 1 collaboration

Mercè Alemany-Chavarria 1 collaboration

Daria Goldmann 1 collaboration

Gregory Landrum 1 collaboration

Corey J Taylor 1 collaboration

Yonghui Chen 1 collaboration

Mareike Leja 1 collaboration

Sakshi Misra 1 collaboration

Armin Ariamajd 1 collaboration