Pedro A. Sánchez-Murcia

Publication Activity (10 Years)

Years Active: 2017-2024
Publications (10 Years): 4

Top Topics

Structural Features

Molecular Dynamics

Top Venues

J. Chem. Inf. Model.

J. Comput. Aided Mol. Des.

Publications

David Ferro-Costas, Pedro A. Sánchez-Murcia, Antonio Fernández-Ramos
Unraveling the Catalytic Mechanism of β-Cyclodextrin in the Vitamin D Formation. J. Chem. Inf. Model. 64 (9) (2024)
Daniel Platero-Rochart, Tatyana Krivobokova, Michael Gastegger, Gilbert Reibnegger, Pedro A. Sánchez-Murcia
Prediction of Enzyme Catalysis by Computing Reaction Energy Barriers via Steered QM/MM Molecular Dynamics Simulations and Machine Learning. J. Chem. Inf. Model. 63 (15) (2023)
Pedro A. Sánchez-Murcia, Alberto Mills, Álvaro Cortés Cabrera, Federico Gago
Unravelling the covalent binding of zampanolide and taccalonolide AJ to a minimalist representation of a human microtubule. J. Comput. Aided Mol. Des. 33 (7) (2019)
Pedro A. Sánchez-Murcia, Álvaro Cortés Cabrera, Federico Gago
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. J. Comput. Aided Mol. Des. 31 (10) (2017)