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Matteo Aldeghi

Showing results (1-10 of 37) with videos related to

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Chemical Science|October 24, 2022
A graph representation of molecular ensembles for polymer property predictionMatteo Aldeghi, Connor W Coley
Chemical Science|August 3, 2022
A focus on simulation and machine learning as complementary tools for chemical space navigationMatteo Aldeghi, Connor W Coley
ACS Central Science|January 17, 2019
Accurate Estimation of Ligand Binding Affinity Changes upon Protein MutationMatteo Aldeghi, Vytautas Gapsys, Bert L de Groot
ACS Central Science|September 5, 2019
Predicting Kinase Inhibitor Resistance: Physics-Based and Data-Driven ApproachesMatteo Aldeghi, Vytautas Gapsys, Bert L de Groot
Methods in Molecular Biology (Clifton, N.J.)|October 10, 2018
Accurate Calculation of Free Energy Changes upon Amino Acid MutationMatteo Aldeghi, Bert L de Groot, Vytautas Gapsys
Methods in Molecular Biology (Clifton, N.J.)|March 30, 2018
Absolute Alchemical Free Energy Calculations for Ligand Binding: A Beginner's GuideMatteo Aldeghi, Joseph P Bluck, Philip C Biggin
Journal of Chemical Information and Modeling|August 9, 2017
Statistical Analysis on the Performance of Molecular Mechanics Poisson-Boltzmann Surface Area versus Absolute Binding Free Energy Calculations: Bromodomains as a Case StudyMatteo Aldeghi, Michael J Bodkin, Stefan Knapp, et al.
Advances in Experimental Medicine and Biology|August 25, 2016
Beyond Membrane Protein Structure: Drug Discovery, Dynamics and DifficultiesPhilip C Biggin, Matteo Aldeghi, Michael J Bodkin, et al.
Chemical Biology & Drug Design|January 30, 2014
Two- and three-dimensional rings in drugsMatteo Aldeghi, Shipra Malhotra, David L Selwood, et al.
Chemical Science|January 23, 2016
Accurate calculation of the absolute free energy of binding for drug moleculesMatteo Aldeghi, Alexander Heifetz, Michael J Bodkin, et al.
Pageof 4

Showing results (1-10 of 37) with videos related to

Sort By:
Pageof 4
Chemical Science|October 24, 2022
A graph representation of molecular ensembles for polymer property predictionMatteo Aldeghi, Connor W Coley
Chemical Science|August 3, 2022
A focus on simulation and machine learning as complementary tools for chemical space navigationMatteo Aldeghi, Connor W Coley
ACS Central Science|January 17, 2019
Accurate Estimation of Ligand Binding Affinity Changes upon Protein MutationMatteo Aldeghi, Vytautas Gapsys, Bert L de Groot
ACS Central Science|September 5, 2019
Predicting Kinase Inhibitor Resistance: Physics-Based and Data-Driven ApproachesMatteo Aldeghi, Vytautas Gapsys, Bert L de Groot
Methods in Molecular Biology (Clifton, N.J.)|October 10, 2018
Accurate Calculation of Free Energy Changes upon Amino Acid MutationMatteo Aldeghi, Bert L de Groot, Vytautas Gapsys
Methods in Molecular Biology (Clifton, N.J.)|March 30, 2018
Absolute Alchemical Free Energy Calculations for Ligand Binding: A Beginner's GuideMatteo Aldeghi, Joseph P Bluck, Philip C Biggin
Journal of Chemical Information and Modeling|August 9, 2017
Statistical Analysis on the Performance of Molecular Mechanics Poisson-Boltzmann Surface Area versus Absolute Binding Free Energy Calculations: Bromodomains as a Case StudyMatteo Aldeghi, Michael J Bodkin, Stefan Knapp, et al.
Advances in Experimental Medicine and Biology|August 25, 2016
Beyond Membrane Protein Structure: Drug Discovery, Dynamics and DifficultiesPhilip C Biggin, Matteo Aldeghi, Michael J Bodkin, et al.
Chemical Biology & Drug Design|January 30, 2014
Two- and three-dimensional rings in drugsMatteo Aldeghi, Shipra Malhotra, David L Selwood, et al.
Chemical Science|January 23, 2016
Accurate calculation of the absolute free energy of binding for drug moleculesMatteo Aldeghi, Alexander Heifetz, Michael J Bodkin, et al.
Pageof 4