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Journal of Enzyme Inhibition and Medicinal Chemistry|May 29, 2018
Dioxygen, an unexpected carbonic anhydrase ligandMarta Ferraroni, Roberto Gaspari, Andrea Scozzafava, et al.Nephrology, Dialysis, Transplantation : Official Publication of the European Dialysis and Transplant Association - European Renal Association|April 8, 2009
Transport of peritoneal membrane assessed before and after the start of peritoneal dialysisVincenzo La Milia, Monica Limardo, Andrea Cavalli, et al.Contributions to Nephrology|June 1, 2011
Recent trials on hemodiafiltrationFrancesco Locatelli, Celestina Manzoni, Lucia Del Vecchio, et al.Journal of Chemical Information and Modeling|September 23, 2011
SERAPhiC: a benchmark for in silico fragment-based drug designAngelo D Favia, Giovanni Bottegoni, Irene Nobeli, et al.The Journal of Physical Chemistry. B|September 11, 2014
Anandamide hydrolysis in FAAH reveals a dual strategy for efficient enzyme-assisted amide bond cleavage via nitrogen inversionGiulia Palermo, Pablo Campomanes, Andrea Cavalli, et al.Journal of Chemical Theory and Computation|November 25, 2015
Methyl Phosphate Dianion Hydrolysis in Solution Characterized by Path Collective Variables Coupled with DFT-Based Enhanced Sampling SimulationsDavide Branduardi, Marco De Vivo, Nadia Rega, et al.Journal of Chemical Information and Modeling|March 19, 2026
Critical Assessment of a Structure-Based Pipeline for Targeting the Long Noncoding RNA MALAT1Riccardo Aguti, Mattia Bernetti, Gian Marco Elisi, et al.Proceedings of the National Academy of Sciences of the United States of America|July 19, 2017
Combining experimental and simulation data of molecular processes via augmented Markov modelsSimon Olsson, Hao Wu, Fabian Paul, et al.Journal of Chemical Theory and Computation|February 24, 2025
Thermodynamic Interpolation: A Generative Approach to Molecular Thermodynamics and KineticsSelma Moqvist, Weilong Chen, Mathias Schreiner, 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.Pageof 44