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Chemical Reviews
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October 2, 2020
Thermodynamics and Kinetics of Drug-Target Binding by Molecular Simulation
Sergio Decherchi, Andrea Cavalli
IEEE Transactions on Neural Networks and Learning Systems
|
April 20, 2016
Import Vector Domain Description: A Kernel Logistic One-Class Learning Algorithm
Sergio Decherchi, Walter Rocchia
Plos One
|
April 12, 2013
A general and robust ray-casting-based algorithm for triangulating surfaces at the nanoscale
Sergio Decherchi, Walter Rocchia
Journal of Chemical Theory and Computation
|
July 9, 2024
OBIWAN: An Element-Wise Scalable Feed-Forward Neural Network Potential
Stefano Martire, Sergio Decherchi, Andrea Cavalli
IEEE Transactions on Neural Networks and Learning Systems
|
January 1, 2019
Finding Principal Paths in Data Space
Marco Jacopo Ferrarotti, Walter Rocchia, Sergio Decherchi
Journal of Chemical Theory and Computation
|
January 20, 2018
Fast Dynamic Docking Guided by Adaptive Electrostatic Bias: The MD-Binding Approach
Andrea Spitaleri, Sergio Decherchi, Andrea Cavalli, et al.
Neural Networks : the Official Journal of the International Neural Network Society
|
December 2, 2015
SIM-ELM: Connecting the ELM model with similarity-function learning
Paolo Gastaldo, Federica Bisio, Sergio Decherchi, et al.
Journal of Chemical Theory and Computation
|
February 5, 2025
Nonequilibrium Binding Free Energy Simulations: Minimizing Dissipation
Eleonora Serra, Alessia Ghidini, Sergio Decherchi, et al.
Journal of Chemical Theory and Computation
|
July 14, 2021
Machine Learning and Enhanced Sampling Simulations for Computing the Potential of Mean Force and Standard Binding Free Energy
Martina Bertazzo, Dorothea Gobbo, Sergio Decherchi, et al.
Bioinformatics (Oxford, England)
|
September 1, 2018
NanoShaper-VMD interface: computing and visualizing surfaces, pockets and channels in molecular systems
Sergio Decherchi, Andrea Spitaleri, John Stone, et al.
Page
of 4
Search research articles
Search
Showing results (1-10 of 39) with videos related to
Sort By:
Page
of 4
Chemical Reviews
|
October 2, 2020
Thermodynamics and Kinetics of Drug-Target Binding by Molecular Simulation
Sergio Decherchi, Andrea Cavalli
IEEE Transactions on Neural Networks and Learning Systems
|
April 20, 2016
Import Vector Domain Description: A Kernel Logistic One-Class Learning Algorithm
Sergio Decherchi, Walter Rocchia
Plos One
|
April 12, 2013
A general and robust ray-casting-based algorithm for triangulating surfaces at the nanoscale
Sergio Decherchi, Walter Rocchia
Journal of Chemical Theory and Computation
|
July 9, 2024
OBIWAN: An Element-Wise Scalable Feed-Forward Neural Network Potential
Stefano Martire, Sergio Decherchi, Andrea Cavalli
IEEE Transactions on Neural Networks and Learning Systems
|
January 1, 2019
Finding Principal Paths in Data Space
Marco Jacopo Ferrarotti, Walter Rocchia, Sergio Decherchi
Journal of Chemical Theory and Computation
|
January 20, 2018
Fast Dynamic Docking Guided by Adaptive Electrostatic Bias: The MD-Binding Approach
Andrea Spitaleri, Sergio Decherchi, Andrea Cavalli, et al.
Neural Networks : the Official Journal of the International Neural Network Society
|
December 2, 2015
SIM-ELM: Connecting the ELM model with similarity-function learning
Paolo Gastaldo, Federica Bisio, Sergio Decherchi, et al.
Journal of Chemical Theory and Computation
|
February 5, 2025
Nonequilibrium Binding Free Energy Simulations: Minimizing Dissipation
Eleonora Serra, Alessia Ghidini, Sergio Decherchi, et al.
Journal of Chemical Theory and Computation
|
July 14, 2021
Machine Learning and Enhanced Sampling Simulations for Computing the Potential of Mean Force and Standard Binding Free Energy
Martina Bertazzo, Dorothea Gobbo, Sergio Decherchi, et al.
Bioinformatics (Oxford, England)
|
September 1, 2018
NanoShaper-VMD interface: computing and visualizing surfaces, pockets and channels in molecular systems
Sergio Decherchi, Andrea Spitaleri, John Stone, et al.
Page
of 4