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Frontiers in Molecular Biosciences
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April 30, 2021
Editorial: Molecular Dynamics and Machine Learning in Drug Discovery
Sergio Decherchi, Francesca Grisoni, Pratyush Tiwary, et al.
European Journal of Medicinal Chemistry
|
September 7, 2014
Implicit solvent methods for free energy estimation
Sergio Decherchi, Matteo Masetti, Ivan Vyalov, et al.
Journal of Chemical Theory and Computation
|
December 14, 2016
Probing Hydration Patterns in Class-A GPCRs via Biased MD: The A<sub>2A</sub> Receptor
Syeda Rehana Zia, Roberto Gaspari, Sergio Decherchi, et al.
Bioinformatics (Oxford, England)
|
May 22, 2020
Spathial: an R package for the evolutionary analysis of biological data
Erika Gardini, Federico M Giorgi, Sergio Decherchi, et al.
Nature Communications
|
January 28, 2015
The ligand binding mechanism to purine nucleoside phosphorylase elucidated via molecular dynamics and machine learning
Sergio Decherchi, Anna Berteotti, Giovanni Bottegoni, et al.
Frontiers in Medicine
|
October 22, 2021
Opportunities and Challenges for Machine Learning in Rare Diseases
Sergio Decherchi, Elena Pedrini, Marina Mordenti, et al.
Frontiers in Pharmacology
|
July 18, 2022
Probabilistic Pocket Druggability Prediction <i>via</i> One-Class Learning
Riccardo Aguti, Erika Gardini, Martina Bertazzo, et al.
Journal of Chemical Information and Modeling
|
December 23, 2025
Patch-Based Ray Tracing in NanoShaper Boosts Molecular Surface Computation
Marco Domenico Mazzeo, Vincenzo Di Florio, Walter Rocchia, et al.
IEEE Transactions on Neural Networks
|
February 4, 2010
Using unsupervised analysis to constrain generalization bounds for support vector classifiers
Sergio Decherchi, Sandro Ridella, Rodolfo Zunino, et al.
Journal of Chemical Information and Modeling
|
August 4, 2018
Addendum to BiKi Life Sciences: A New Suite for Molecular Dynamics and Related Methods in Drug Discovery
Sergio Decherchi, Giovanni Bottegoni, Andrea Spitaleri, et al.
Page
of 4
Search research articles
Search
Showing results (11-20 of 39) with videos related to
Sort By:
Page
of 4
Frontiers in Molecular Biosciences
|
April 30, 2021
Editorial: Molecular Dynamics and Machine Learning in Drug Discovery
Sergio Decherchi, Francesca Grisoni, Pratyush Tiwary, et al.
European Journal of Medicinal Chemistry
|
September 7, 2014
Implicit solvent methods for free energy estimation
Sergio Decherchi, Matteo Masetti, Ivan Vyalov, et al.
Journal of Chemical Theory and Computation
|
December 14, 2016
Probing Hydration Patterns in Class-A GPCRs via Biased MD: The A<sub>2A</sub> Receptor
Syeda Rehana Zia, Roberto Gaspari, Sergio Decherchi, et al.
Bioinformatics (Oxford, England)
|
May 22, 2020
Spathial: an R package for the evolutionary analysis of biological data
Erika Gardini, Federico M Giorgi, Sergio Decherchi, et al.
Nature Communications
|
January 28, 2015
The ligand binding mechanism to purine nucleoside phosphorylase elucidated via molecular dynamics and machine learning
Sergio Decherchi, Anna Berteotti, Giovanni Bottegoni, et al.
Frontiers in Medicine
|
October 22, 2021
Opportunities and Challenges for Machine Learning in Rare Diseases
Sergio Decherchi, Elena Pedrini, Marina Mordenti, et al.
Frontiers in Pharmacology
|
July 18, 2022
Probabilistic Pocket Druggability Prediction <i>via</i> One-Class Learning
Riccardo Aguti, Erika Gardini, Martina Bertazzo, et al.
Journal of Chemical Information and Modeling
|
December 23, 2025
Patch-Based Ray Tracing in NanoShaper Boosts Molecular Surface Computation
Marco Domenico Mazzeo, Vincenzo Di Florio, Walter Rocchia, et al.
IEEE Transactions on Neural Networks
|
February 4, 2010
Using unsupervised analysis to constrain generalization bounds for support vector classifiers
Sergio Decherchi, Sandro Ridella, Rodolfo Zunino, et al.
Journal of Chemical Information and Modeling
|
August 4, 2018
Addendum to BiKi Life Sciences: A New Suite for Molecular Dynamics and Related Methods in Drug Discovery
Sergio Decherchi, Giovanni Bottegoni, Andrea Spitaleri, et al.
Page
of 4