Pedro A. Sánchez-Murcia

According to our database, Pedro A. Sánchez-Murcia authored at least 6 papers between 2017 and 2026.

Collaborative distances:

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

2026

Untangling the Reaction Mechanism of the Polysaccharide Lyase PL42 Using QM/MM Metadynamics Simulations.

Santiago Alonso-Gil, Tatsuya Kondo, Shinya Fushinobu, Pedro A. Sánchez-Murcia

J. Chem. Inf. Model., 2026

2025

Digging out the Molecular Connections between the Catalytic Mechanism of Human Lysosomal α-Mannosidase and Its Pathophysiology.

Bruno Di Geronimo, Spela Mandl, Santiago Alonso-Gil, Bojan Zagrovic, Gilbert Reibnegger, Christoph Nusshold, Pedro A. Sánchez-Murcia

J. Chem. Inf. Model., 2025

2024

Unraveling the Catalytic Mechanism of β-Cyclodextrin in the Vitamin D Formation.

David Ferro-Costas, Pedro A. Sánchez-Murcia, Antonio Fernández-Ramos

J. Chem. Inf. Model., 2024

2023

Prediction of Enzyme Catalysis by Computing Reaction Energy Barriers via Steered QM/MM Molecular Dynamics Simulations and Machine Learning.

Daniel Platero-Rochart, Tatyana Krivobokova, Michael Gastegger, Gilbert Reibnegger, Pedro A. Sánchez-Murcia

J. Chem. Inf. Model., August, 2023

2019

Unravelling the covalent binding of zampanolide and taccalonolide AJ to a minimalist representation of a human microtubule.

Pedro A. Sánchez-Murcia, Alberto Mills, Álvaro Cortés Cabrera, Federico Gago

J. Comput. Aided Mol. Des., 2019

2017

Structural rationale for the cross-resistance of tumor cells bearing the A399V variant of elongation factor eEF1A1 to the structurally unrelated didemnin B, ternatin, nannocystin A and ansatrienin B.

Pedro A. Sánchez-Murcia, Álvaro Cortés Cabrera, Federico Gago

J. Comput. Aided Mol. Des., 2017