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Pedro J. Buigues
Pedro J. Buigues
PhD Student, University College London
Geverifieerd e-mailadres voor ucl.ac.uk - Homepage
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Bayesian-maximum-entropy reweighting of IDP ensembles based on NMR chemical shifts
R Crehuet, PJ Buigues, X Salvatella, K Lindorff-Larsen
Entropy 21 (9), 898, 2019
352019
Cations in motion: QM/MM studies of the dynamic and electrostatic roles of H+ and Mg2+ ions in enzyme reactions
D Berta, PJ Buigues, M Badaoui, E Rosta
Current Opinion in Structural Biology 61, 198-206, 2020
292020
Combined free-energy calculation and machine learning methods for understanding ligand unbinding kinetics
M Badaoui, PJ Buigues, D Berta, GM Mandana, H Gu, T Foldes, ...
Journal of chemical theory and computation 18 (4), 2543-2555, 2022
252022
Modelling the active SARS-CoV-2 helicase complex as a basis for structure-based inhibitor design
D Berta, M Badaoui, SA Martino, PJ Buigues, AV Pisliakov, ...
Chemical Science 12 (40), 13492-13505, 2021
82021
Investigating the Unbinding of Muscarinic Antagonists from the Muscarinic 3 Receptor
PJ Buigues, S Gehrke, M Badaoui, B Dudas, G Mandana, T Qi, ...
Journal of Chemical Theory and Computation 19 (15), 5260-5272, 2023
32023
Simulated tempering with irreversible Gibbs sampling techniques
F Faizi, PJ Buigues, G Deligiannidis, E Rosta
The Journal of Chemical Physics 153 (21), 2020
12020
Developments on Enhanced Sampling and Machine Learning Analysis Techniques for Understanding Biomolecular Events
PJ Buigues Jorro
UCL (University College London), 2023
2023
Supporting Information for Modelling the Active SARS-CoV-2 Helicase Complex as a Basis for Structure-based Inhibitor Design
D Berta, M Badaoui, SA Martino, PJ Buigues, AV Pisliakov, ...
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Artikelen 1–8