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Matteo Aldeghi

Showing results (11-20 of 37) with videos related to

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Chemical Science|November 25, 2021
Golem: an algorithm for robust experiment and process optimizationMatteo Aldeghi, Florian Häse, Riley J Hickman, et al.
Journal of the American Chemical Society|December 24, 2016
Predictions of Ligand Selectivity from Absolute Binding Free Energy CalculationsMatteo Aldeghi, Alexander Heifetz, Michael J Bodkin, et al.
Advanced Drug Delivery Reviews|May 21, 2021
Machine learning directed drug formulation developmentPauric Bannigan, Matteo Aldeghi, Zeqing Bao, et al.
Nature Communications|January 10, 2023
Machine learning models to accelerate the design of polymeric long-acting injectablesPauric Bannigan, Zeqing Bao, Riley J Hickman, et al.
Biochemical Society Transactions|April 13, 2016
Using the fragment molecular orbital method to investigate agonist-orexin-2 receptor interactionsAlexander Heifetz, Matteo Aldeghi, Ewa I Chudyk, et al.
Communications Chemistry|January 25, 2023
Accurate absolute free energies for ligand-protein binding based on non-equilibrium approachesVytautas Gapsys, Ahmet Yildirim, Matteo Aldeghi, et al.
Nature Chemical Biology|August 26, 2020
Structural basis for antibiotic action of the B<sub>1</sub> antivitamin 2'-methoxy-thiamineFabian Rabe von Pappenheim, Matteo Aldeghi, Brateen Shome, et al.
Communications Chemistry|June 5, 2018
Large-scale analysis of water stability in bromodomain binding pockets with grand canonical Monte CarloMatteo Aldeghi, Gregory A Ross, Michael J Bodkin, et al.
Chemical Science|June 4, 2021
Large scale relative protein ligand binding affinities using non-equilibrium alchemyVytautas Gapsys, Laura Pérez-Benito, Matteo Aldeghi, et al.
Journal of Chemical Information and Modeling|August 8, 2022
Self-Focusing Virtual Screening with Active Design Space PruningDavid E Graff, Matteo Aldeghi, Joseph A Morrone, et al.
Pageof 4

Showing results (11-20 of 37) with videos related to

Sort By:
Pageof 4
Chemical Science|November 25, 2021
Golem: an algorithm for robust experiment and process optimizationMatteo Aldeghi, Florian Häse, Riley J Hickman, et al.
Journal of the American Chemical Society|December 24, 2016
Predictions of Ligand Selectivity from Absolute Binding Free Energy CalculationsMatteo Aldeghi, Alexander Heifetz, Michael J Bodkin, et al.
Advanced Drug Delivery Reviews|May 21, 2021
Machine learning directed drug formulation developmentPauric Bannigan, Matteo Aldeghi, Zeqing Bao, et al.
Nature Communications|January 10, 2023
Machine learning models to accelerate the design of polymeric long-acting injectablesPauric Bannigan, Zeqing Bao, Riley J Hickman, et al.
Biochemical Society Transactions|April 13, 2016
Using the fragment molecular orbital method to investigate agonist-orexin-2 receptor interactionsAlexander Heifetz, Matteo Aldeghi, Ewa I Chudyk, et al.
Communications Chemistry|January 25, 2023
Accurate absolute free energies for ligand-protein binding based on non-equilibrium approachesVytautas Gapsys, Ahmet Yildirim, Matteo Aldeghi, et al.
Nature Chemical Biology|August 26, 2020
Structural basis for antibiotic action of the B<sub>1</sub> antivitamin 2'-methoxy-thiamineFabian Rabe von Pappenheim, Matteo Aldeghi, Brateen Shome, et al.
Communications Chemistry|June 5, 2018
Large-scale analysis of water stability in bromodomain binding pockets with grand canonical Monte CarloMatteo Aldeghi, Gregory A Ross, Michael J Bodkin, et al.
Chemical Science|June 4, 2021
Large scale relative protein ligand binding affinities using non-equilibrium alchemyVytautas Gapsys, Laura Pérez-Benito, Matteo Aldeghi, et al.
Journal of Chemical Information and Modeling|August 8, 2022
Self-Focusing Virtual Screening with Active Design Space PruningDavid E Graff, Matteo Aldeghi, Joseph A Morrone, et al.
Pageof 4