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Chemical Science
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November 25, 2021
Golem: an algorithm for robust experiment and process optimization
Matteo 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 Calculations
Matteo Aldeghi, Alexander Heifetz, Michael J Bodkin, et al.
Advanced Drug Delivery Reviews
|
May 21, 2021
Machine learning directed drug formulation development
Pauric Bannigan, Matteo Aldeghi, Zeqing Bao, et al.
Nature Communications
|
January 10, 2023
Machine learning models to accelerate the design of polymeric long-acting injectables
Pauric 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 interactions
Alexander 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 approaches
Vytautas 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-thiamine
Fabian 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 Carlo
Matteo Aldeghi, Gregory A Ross, Michael J Bodkin, et al.
Chemical Science
|
June 4, 2021
Large scale relative protein ligand binding affinities using non-equilibrium alchemy
Vytautas 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 Pruning
David E Graff, Matteo Aldeghi, Joseph A Morrone, et al.
Page
of 4
Search research articles
Search
Showing results (11-20 of 37) with videos related to
Sort By:
Page
of 4
Chemical Science
|
November 25, 2021
Golem: an algorithm for robust experiment and process optimization
Matteo 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 Calculations
Matteo Aldeghi, Alexander Heifetz, Michael J Bodkin, et al.
Advanced Drug Delivery Reviews
|
May 21, 2021
Machine learning directed drug formulation development
Pauric Bannigan, Matteo Aldeghi, Zeqing Bao, et al.
Nature Communications
|
January 10, 2023
Machine learning models to accelerate the design of polymeric long-acting injectables
Pauric 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 interactions
Alexander 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 approaches
Vytautas 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-thiamine
Fabian 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 Carlo
Matteo Aldeghi, Gregory A Ross, Michael J Bodkin, et al.
Chemical Science
|
June 4, 2021
Large scale relative protein ligand binding affinities using non-equilibrium alchemy
Vytautas 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 Pruning
David E Graff, Matteo Aldeghi, Joseph A Morrone, et al.
Page
of 4