Matteo Aldeghi (M Aldeghi)

ORCID

Publication Activity (10 Years)

Years Active: 2017-2022
Publications (10 Years): 12

Top Venues

Chemical science

Journal of chemical information and modeling

Accounts of chemical research

Nature communications

University of Toronto

University of Oxford (PHD)

This page only lists publications with an associated author ORCID identifier.

Affiliation History

University of Toronto

Canada

Postdoctoral Research Fellow

Vector Institute

Canada

Postdoctoral Research Fellow

Max Planck Institute for Biophysical Chemistry

Germany

Postdoctoral Research Fellow :: Theoretical and Computational Biophysics

Education History

University of Oxford

United Kingdom

PHD

University College London

United Kingdom

MSC

University of Insubria

Italy

BSC

Publications

Matteo Aldeghi, Connor W Coley
A graph representation of molecular ensembles for polymer property prediction. Chemical science 13 (35) (2022)
Matteo Aldeghi, David E Graff, Nathan C Frey, Joseph A Morrone, Edward O Pyzer-Knapp, Kirk E Jordan, Connor W Coley
Roughness of Molecular Property Landscapes and Its Impact on Modellability. Journal of chemical information and modeling 62 (19) (2022)
David E Graff, Matteo Aldeghi, Joseph A Morrone, Kirk E Jordan, Edward O Pyzer-Knapp, Connor W Coley
Self-Focusing Virtual Screening with Active Design Space Pruning. Journal of chemical information and modeling 62 (16) (2022)
Y Khalak, Gary John Tresadern, Matteo Aldeghi, H M Baumann, D L Mobley, Bert L de Groot, Vytautas Gapsys
Alchemical absolute protein-ligand binding free energies for drug design. Chemical science 12 (41) (2021)
Matteo Aldeghi, Florian Häse, Riley J Hickman, Isaac Tamblyn, Alán Aspuru-Guzik
Golem: an algorithm for robust experiment and process optimization. Chemical science 12 (44) (2021)
Robert Pollice, Gabriel Dos Passos Gomes, Matteo Aldeghi, Riley J Hickman, Mario Krenn, Cyrille Lavigne, Michael Lindner-D'Addario, AkshatKumar Nigam, Cher Tian Ser, Zhenpeng Yao, Alán Aspuru-Guzik
Data-Driven Strategies for Accelerated Materials Design. Accounts of chemical research 54 (4) (2021)
Andrea Rizzi, Travis Jensen, David R Slochower, Matteo Aldeghi, Vytautas Gapsys, Dimitris Ntekoumes, Stefano Bosisio, Michail Papadourakis, Niel M Henriksen, Bert L de Groot, Zoe Cournia, Alex Dickson, Julien Michel, Michael K Gilson, Michael R Shirts, David L Mobley, John D Chodera
The SAMPL6 SAMPLing challenge: assessing the reliability and efficiency of binding free energy calculations. Journal of computer-aided molecular design 34 (5) (2020)
Alexander Heifetz, Inaki Morao, M Madan Babu, Tim James, Michelle W Y Southey, Dmitri G Fedorov, Matteo Aldeghi, Michael J Bodkin, Andrea Townsend-Nicholson
Characterizing Interhelical Interactions of G-Protein Coupled Receptors with the Fragment Molecular Orbital Method. Journal of chemical theory and computation 16 (4) (2020)
Vytautas Gapsys, Laura Perez Benito, Matteo Aldeghi, Daniel Seeliger, Herman W T van Vlijmen, Gary John Tresadern, Bert L de Groot
Large scale relative protein ligand binding affinities using non-equilibrium alchemy. Chemical science 11 (4) (2019)
Ai Woon Yee, Matteo Aldeghi, Matthew P Blakeley, Andreas Ostermann, Philippe J Mas, Martine Moulin, Daniele de Sanctis, Matthew W Bowler, Christoph Mueller-Dieckmann, Edward P Mitchell, Michael Haertlein, Bert L de Groot, Elisabetta Boeri Erba, V Trevor Forsyth
A molecular mechanism for transthyretin amyloidogenesis. Nature communications 10 (1) (2019)
Matteo Aldeghi, Michael J Bodkin, Stefan Knapp, Philip Charles Biggin
Statistical Analysis on the Performance of Molecular Mechanics Poisson-Boltzmann Surface Area versus Absolute Binding Free Energy Calculations: Bromodomains as a Case Study. Journal of chemical information and modeling 57 (9) (2017)
Matteo Aldeghi, Alexander Heifetz, Michael J Bodkin, Stefan Knapp, Philip Charles Biggin
Predictions of Ligand Selectivity from Absolute Binding Free Energy Calculations. Journal of the American Chemical Society 139 (2) (2017)

Matteo Aldeghi.css-eqlu8i{font-size:small;padding-left:4px;} (M Aldeghi)

Publication Activity (10 Years)

Top Topics

Top Venues

Matteo Aldeghi (M Aldeghi)