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Oriol Gracia Carmona
Oriol Gracia Carmona
Barcelona Supercomputing Center
Chemistry
Monte Carlo method
Convergence (routing)
Sampling (statistics)
Markov chain
2
Papers
9
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Combining Monte Carlo and molecular dynamics simulations for enhanced binding free energy estimation through Markov State Models.
2020
Journal of Chemical Information and Modeling
Joan F. Gilabert
Oriol Gracia Carmona
Anders Hogner
Victor Guallar
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Citations (2)
PELE-MSM: a Monte Carlo based protocol for the estimation of absolute binding free energies
2019
Journal of Chemical Theory and Computation
Joan F. Gilabert
Christoph Grebner
Daniel Soler
Daniel Lecina
Martí Municoy
Oriol Gracia Carmona
Robert Soliva
Martin J. Packer
Samantha Jayne Hughes
Christian Tyrchan
Anders Hogner
Victor Guallar
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Citations (7)
1