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João Morado

Showing results (1-10 of 5) with videos related to

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The Journal of Physical Chemistry. B|August 15, 2024
Kemeny Constant-Based Optimization of Network Clustering Using Graph Neural NetworksSam Alexander Martino, João Morado, Chenghao Li, et al.
Journal of Chemical Theory and Computation|November 10, 2025
Enhancing Electrostatic Embedding for ML/MM Free Energy CalculationsJoão Morado, Kirill Zinovjev, Lester O Hedges, et al.
Journal of Chemical Information and Modeling|April 18, 2023
Does a Machine-Learned Potential Perform Better Than an Optimally Tuned Traditional Force Field? A Case Study on FluorohydrinsJoão Morado, Paul N Mortenson, J Willem M Nissink, et al.
Journal of Chemical Information and Modeling|March 22, 2021
ParaMol: A Package for Automatic Parameterization of Molecular Mechanics Force FieldsJoão Morado, Paul N Mortenson, Marcel L Verdonk, et al.
Journal of Chemical Theory and Computation|October 13, 2021
Generation of Quantum Configurational Ensembles Using Approximate PotentialsJoão Morado, Paul N Mortenson, J Willem M Nissink, et al.
Pageof 1

Showing results (1-10 of 5) with videos related to

Sort By:
Pageof 1
The Journal of Physical Chemistry. B|August 15, 2024
Kemeny Constant-Based Optimization of Network Clustering Using Graph Neural NetworksSam Alexander Martino, João Morado, Chenghao Li, et al.
Journal of Chemical Theory and Computation|November 10, 2025
Enhancing Electrostatic Embedding for ML/MM Free Energy CalculationsJoão Morado, Kirill Zinovjev, Lester O Hedges, et al.
Journal of Chemical Information and Modeling|April 18, 2023
Does a Machine-Learned Potential Perform Better Than an Optimally Tuned Traditional Force Field? A Case Study on FluorohydrinsJoão Morado, Paul N Mortenson, J Willem M Nissink, et al.
Journal of Chemical Information and Modeling|March 22, 2021
ParaMol: A Package for Automatic Parameterization of Molecular Mechanics Force FieldsJoão Morado, Paul N Mortenson, Marcel L Verdonk, et al.
Journal of Chemical Theory and Computation|October 13, 2021
Generation of Quantum Configurational Ensembles Using Approximate PotentialsJoão Morado, Paul N Mortenson, J Willem M Nissink, et al.
Pageof 1