Sergio Decherchi
Sergio Decherchi
Research Technologist, Fondazione Istituto Italiano di Tecnologia
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Extreme learning machines [trends & controversies]
E Cambria, GB Huang, LLC Kasun, H Zhou, CM Vong, J Lin, J Yin, Z Cai, ...
IEEE intelligent systems 28 (6), 30-59, 2013
The ligand binding mechanism to purine nucleoside phosphorylase elucidated via molecular dynamics and machine learning
S Decherchi, A Berteotti, G Bottegoni, W Rocchia, A Cavalli
Nature communications 6 (1), 1-10, 2015
Kinetics of protein-ligand unbinding via smoothed potential molecular dynamics simulations
L Mollica, S Decherchi, SR Zia, R Gaspari, A Cavalli, W Rocchia
Scientific reports 5 (1), 1-12, 2015
Tactile-data classification of contact materials using computational intelligence
S Decherchi, P Gastaldo, RS Dahiya, M Valle, R Zunino
IEEE Transactions on Robotics 27 (3), 635-639, 2011
A general and robust ray-casting-based algorithm for triangulating surfaces at the nanoscale
S Decherchi, W Rocchia
PloS one 8 (4), e59744, 2013
Efficient digital implementation of extreme learning machines for classification
S Decherchi, P Gastaldo, A Leoncini, R Zunino
IEEE Transactions on Circuits and Systems II: Express Briefs 59 (8), 496-500, 2012
Circular-ELM for the reduced-reference assessment of perceived image quality
S Decherchi, P Gastaldo, R Zunino, E Cambria, J Redi
Neurocomputing 102, 78-89, 2013
Text clustering for digital forensics analysis
S Decherchi, S Tacconi, J Redi, A Leoncini, F Sangiacomo, R Zunino
Computational Intelligence in Security for Information Systems, 29-36, 2009
Molecular dynamics simulations and kinetic measurements to estimate and predict protein–ligand residence times
L Mollica, I Theret, M Antoine, F Perron-Sierra, Y Charton, JM Fourquez, ...
Journal of medicinal chemistry 59 (15), 7167-7176, 2016
A pipeline to enhance ligand virtual screening: integrating molecular dynamics and fingerprints for ligand and proteins
F Spyrakis, P Benedetti, S Decherchi, W Rocchia, A Cavalli, S Alcaro, ...
Journal of Chemical Information and Modeling 55 (10), 2256-2274, 2015
Between algorithm and model: different molecular surface definitions for the Poisson-Boltzmann based electrostatic characterization of biomolecules in solution
S Decherchi, J Colmenares, CE Catalano, M Spagnuolo, E Alexov, ...
Communications in computational physics 13 (1), 61-89, 2013
Thermodynamics and kinetics of drug-target binding by molecular simulation
S Decherchi, A Cavalli
Chemical Reviews 120 (23), 12788-12833, 2020
Implicit solvent methods for free energy estimation
S Decherchi, M Masetti, I Vyalov, W Rocchia
European journal of medicinal chemistry 91, 27-42, 2015
Allosteric communication networks in proteins revealed through pocket crosstalk analysis
G La Sala, S Decherchi, M De Vivo, W Rocchia
ACS central science 3 (9), 949-960, 2017
BiKi life Sciences: A new suite for molecular dynamics and related methods in drug discovery
S Decherchi, G Bottegoni, A Spitaleri, W Rocchia, A Cavalli
Journal of chemical information and modeling 58 (2), 219-224, 2018
Fast dynamic docking guided by adaptive electrostatic bias: The MD-binding approach
A Spitaleri, S Decherchi, A Cavalli, W Rocchia
Journal of chemical theory and computation 14 (3), 1727-1736, 2018
Investigating Drug–Target Residence Time in Kinases through Enhanced Sampling Simulations
D Gobbo, V Piretti, RMC Di Martino, SK Tripathi, B Giabbai, P Storici, ...
Journal of Chemical Theory and Computation 15 (8), 4646-4659, 2019
Structure, thermodynamics, and kinetics of plinabulin binding to two tubulin isotypes
G La Sala, N Olieric, A Sharma, F Viti, FAB Perez, L Huang, JR Tonra, ...
Chem 5 (11), 2969-2986, 2019
Using unsupervised analysis to constrain generalization bounds for support vector classifiers
S Decherchi, S Ridella, R Zunino, P Gastaldo, D Anguita
IEEE transactions on neural networks 21 (3), 424-438, 2010
NanoShaper–VMD interface: computing and visualizing surfaces, pockets and channels in molecular systems
S Decherchi, A Spitaleri, J Stone, W Rocchia
Bioinformatics 35 (7), 1241-1243, 2019
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