João Morado
5PUBLICATIONS
9CO-AUTHORS
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Publications (5)
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|Nov 10, 2025
Enhancing Electrostatic Embedding for ML/MM Free Energy Calculations.João Morado, Kirill Zinovjev, Lester O Hedges
|Aug 15, 2024
Kemeny Constant-Based Optimization of Network Clustering Using Graph Neural Networks.Sam Alexander Martino, João Morado, Chenghao Li
|Apr 18, 2023
Does a Machine-Learned Potential Perform Better Than an Optimally Tuned Traditional Force Field? A Case Study on Fluorohydrins.João Morado, Paul N Mortenson, J Willem M Nissink
|Oct 13, 2021
Generation of Quantum Configurational Ensembles Using Approximate Potentials.João Morado, Paul N Mortenson, J Willem M Nissink
|Mar 22, 2021
ParaMol: A Package for Automatic Parameterization of Molecular Mechanics Force Fields.João Morado, Paul N Mortenson, Marcel L Verdonk
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Frequent Collaborators
3 joint publications
Paul N Mortenson
3 joint publications
Jonathan W Essex
3 joint publications
Chris-Kriton Skylaris
2 joint publications
Marcel L Verdonk
2 joint publications
Richard A Ward
2 joint publications
J Willem M Nissink
1 joint publications
Edina Rosta
1 joint publications
Kirill Zinovjev
1 joint publications
Julien Michel
