Oriol Gracia Carmona

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Active since

2019

Affiliations

Institució Catalana de Recerca i Estudis Avançats(Current)

Universitat Politècnica de Catalunya

Barcelona Supercomputing Center

AstraZeneca (Sweden)

BOKU University

Oriol Gracia Carmona is an author at Institució Catalana de Recerca i Estudis Avançats specializing in cofactor binding affinity, computational chemistry, and enzymology.

ORCID

Publications per year

2019–2024

Publications

Mutations Increasing Cofactor Affinity, Improve Stability and Activity of a Baeyer–Villiger Monooxygenase

Hamid R. Mansouri, Oriol Gracia Carmona, Julia Jodlbauer et al. · ACS Catalysis · 2022 · 29 citations · Full text

Life Sciences, Biochemistry, Molecular Biology +17

PELE-MSM: A Monte Carlo Based Protocol for the Estimation of Absolute Binding Free Energies

Joan F. Gilabert, Christoph Grebner, Daniel Soler et al. · Journal of Chemical Theory and Computation · 2019 · 16 citations

Pharmacy, Chemistry, Medicinal Chemistry +17

Flexible Gaussian Accelerated Molecular Dynamics to Enhance Biological Sampling

Oriol Gracia Carmona, Chris Oostenbrink · Journal of Chemical Theory and Computation · 2023 · 13 citations · Full text

Natural Sciences, Biophysics, Chemistry +14

Combining Monte Carlo and Molecular Dynamics Simulations for Enhanced Binding Free Energy Estimation through Markov State Models

Joan F. Gilabert, Oriol Gracia Carmona, Anders Hogner et al. · Journal of Chemical Information and Modeling · 2020 · 10 citations · Full text

Natural Sciences, Biophysics, Chemistry +17

Virus-like particle-mediated delivery of structure-selected neoantigens demonstrates immunogenicity and antitumoral activity in mice

Ana Barajas, Pep Amengual-Rigo, Anna Pons-Grífols et al. · Journal of Translational Medicine · 2024 · 10 citations · Full text

Life Sciences, Immunology, Oncology +17

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