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Journal of Chemical Information and Modeling|June 30, 2025
NanoShaperWeb: Molecular Surface and Pocket Detection Made VisualCarlo Abate, Eleonora Serra, Walter Rocchia, et al.Journal of the American Chemical Society|May 14, 2010
Single-molecule pulling simulations can discern active from inactive enzyme inhibitorsFrancesco Colizzi, Remo Perozzo, Leonardo Scapozza, et al.Proteins|July 29, 2014
Mechanistic insights into Pin1 peptidyl-prolyl cis-trans isomerization from umbrella sampling simulationsGiovanni Paolo Di Martino, Matteo Masetti, Andrea Cavalli, et al.Journal of Chemical Information and Modeling|January 18, 2018
BiKi Life Sciences: A New Suite for Molecular Dynamics and Related Methods in Drug DiscoverySergio Decherchi, Giovanni Bottegoni, Andrea Spitaleri, et al.The Journal of Chemical Physics|April 24, 2023
On the allosteric puzzle and pocket crosstalk through computational meansRiccardo Aguti, Mattia Bernetti, Stefano Bosio, et al.Frontiers in Medicine|May 13, 2021
How Genetics Might Explain the Unusual Link Between Malaria and COVID-19Marta Rusmini, Paolo Uva, Antonio Amoroso, et al.Proteins|January 6, 2006
Three-dimensional model of the human aromatase enzyme and density functional parameterization of the iron-containing protoporphyrin IX for a molecular dynamics study of heme-cysteinato cytochromesAngelo Danilo Favia, Andrea Cavalli, Matteo Masetti, et al.Medicinal Research Reviews|September 25, 2004
QT prolongation through hERG K(+) channel blockade: current knowledge and strategies for the early prediction during drug developmentMaurizio Recanatini, Elisabetta Poluzzi, Matteo Masetti, et al.Journal of Medicinal Chemistry|July 23, 2004
A computational study of the binding of propidium to the peripheral anionic site of human acetylcholinesteraseAndrea Cavalli, Giovanni Bottegoni, Caterina Raco, et al.Proteins|November 18, 2005
Role of phosphorylated Thr160 for the activation of the CDK2/Cyclin A complexMarco De Vivo, Andrea Cavalli, Giovanni Bottegoni, et al.Pageof 44