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Biological and Medicinal Chemistry

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Catalysis

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Theoretical and Computational Chemistry

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Gilbert Reibnegger

2 results in Authors: Gilbert Reibnegger

Theoretical and Computational Chemistry

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 Alejandro Sánchez-Murcia

Version 1 posted 01 February 2023

599

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Digging out the molecular connections between the active site of human lysosomal alpha-mannosidase and its pathophysiology

Bruno Di Geronimo, Santiago Alonso-Gil, Bojan Zagrovic, Gilbert Reibnegger, Pedro Alejandro Sánchez-Murcia

Version 1 posted 29 August 2022

308

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