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Pedro A. Sánchez-Murcia

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Journal Articles

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2024
[j4]
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  - journals/jcisd/FerroCostasSF24
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  - https://dblp.org/rec/journals/jcisd/FerroCostasSF24
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): 3865-3873 (2024)
2023
[j3]
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  - journals/jcisd/PlateroRochartKGRS23
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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): 4623-4632 (2023)
2019
[j2]
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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): 627-644 (2019)
2017
[j1]
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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): 915-928 (2017)

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