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Journal of Chemical Information and Modeling|November 26, 2015
LipidBuilder: A Framework To Build Realistic Models for Biological MembranesChristophe Bovigny, Giorgio Tamò, Thomas Lemmin, et al.Current Opinion in Structural Biology|April 10, 2007
Investigating biological systems using first principles Car-Parrinello molecular dynamics simulationsMatteo Dal Peraro, Paolo Ruggerone, Simone Raugei, et al.Journal of Chemical Theory and Computation|November 27, 2015
Unraveling the Catalytic Pathway of Metalloenzyme Farnesyltransferase through QM/MM ComputationMing-Hsun Ho, Marco De Vivo, Matteo Dal Peraro, et al.Journal of the American Chemical Society|August 25, 2010
Understanding the effect of magnesium ion concentration on the catalytic activity of ribonuclease H through computation: does a third metal binding site modulate endonuclease catalysis?Ming-Hsun Ho, Marco De Vivo, Matteo Dal Peraro, et al.ACS Chemical Neuroscience|May 16, 2024
Differential Effects of Post-translational Modifications on the Membrane Interaction of Huntingtin ProteinZhidian Zhang, Charlotte Gehin, Luciano A Abriata, et al.Journal of Chemical Theory and Computation|November 20, 2015
Electrostatic-Consistent Coarse-Grained Potentials for Molecular Simulations of ProteinsEnrico Spiga, Davide Alemani, Matteo T Degiacomi, et al.Chimia|December 9, 2023
Visualization, Interactive Handling and Simulation of Molecules in Commodity Augmented Reality in Web Browsers Using moleculARweb's Virtual Modeling KitsFabio Cortés Rodriguez, Lucien F Krapp, Matteo Dal Peraro, et al.Journal of Chemical Theory and Computation|November 21, 2015
Molecular Simulations Highlight the Role of Metals in Catalysis and Inhibition of Type II TopoisomeraseGiulia Palermo, Marco Stenta, Andrea Cavalli, et al.Nature Communications|April 18, 2023
PeSTo: parameter-free geometric deep learning for accurate prediction of protein binding interfacesLucien F Krapp, Luciano A Abriata, Fabio Cortés Rodriguez, et al.The Journal of Physical Chemistry. B|June 11, 2014
Reaction Mechanism and Catalytic Fingerprint of Allantoin RacemaseChristophe Bovigny, Matteo Thomas Degiacomi, Thomas Lemmin, et al.Pageof 25