Oriol Gracia Carmona

Publication Activity (10 Years)

Years Active: 2022-2023
Publications (10 Years): 10

Top Topics

Molecular Dynamics

Acinetobacter Baumannii

Top Venues

Journal of chemical information and modeling

Journal of chemical theory and computation

Journal of molecular recognition : JMR

This page only lists publications with an associated author ORCID identifier.

Publications

Oriol Gracia Carmona, Michael Gillhofer, Lisa Tomasiak, Anita De Ruiter, Chris Oostenbrink
Accelerated Enveloping Distribution Sampling to Probe the Presence of Water Molecules. Journal of chemical theory and computation (2023)
Oriol Gracia Carmona, Chris Oostenbrink
Flexible Gaussian Accelerated Molecular Dynamics to Enhance Biological Sampling. Journal of chemical theory and computation (2023)
Oriol Gracia Carmona, Majd Lahham, Peter Poliak, Dominic Goj, Eva Frießer, Silvia Wallner, Peter Macheroux, Chris Oostenbrink
Understanding the riddle of amine oxidase flavoenzyme reactivity on the stereoisomers of N-methyl-dopa and N-methyl-tyrosine. Journal of molecular recognition : JMR (2023)
Oriol Gracia Carmona, Chris Oostenbrink
Accelerated Enveloping Distribution Sampling (AEDS) Allows for Efficient Sampling of Orthogonal Degrees of Freedom. Journal of chemical information and modeling 63 (1) (2022)
Oriol Gracia Carmona, Chris Oostenbrink
Accelerated Enveloping Distribution Sampling (AEDS) Allows for Efficient Sampling of Orthogonal Degrees of Freedom. Journal of chemical information and modeling 63 (1) (2022)
Hamid R Mansouri, Oriol Gracia Carmona, Julia Jodlbauer, Lorenz Schweiger, Michael J Fink, Erik Breslmayr, Christophe V F P Laurent, Saima Feroz, Leticia C P Goncalves, Daniela V Rial, Marko D Mihovilovic, Andreas Sebastian Bommarius, Roland Ludwig, Chris Oostenbrink, Florian Rudroff
Mutations Increasing Cofactor Affinity, Improve Stability and Activity of a Baeyer-Villiger Monooxygenase. ACS catalysis 12 (19) (2022)
Oriol Gracia Carmona, Chris Oostenbrink
Accelerated Enveloping Distribution Sampling (AEDS) Allows for Efficient Sampling of Orthogonal Degrees of Freedom. Journal of chemical information and modeling (2022)
Oriol Gracia Carmona, Chris Oostenbrink
Accelerated Enveloping Distribution Sampling (AEDS) Allows for Efficient Sampling of Orthogonal Degrees of Freedom. Journal of chemical information and modeling 63 (1) (2022)
Oriol Gracia Carmona, Chris Oostenbrink
Accelerated Enveloping Distribution Sampling (AEDS) Allows for Efficient Sampling of Orthogonal Degrees of Freedom. Journal of chemical information and modeling 63 (1) (2022)
Oriol Gracia Carmona, Chris Oostenbrink
Accelerated Enveloping Distribution Sampling (AEDS) Allows for Efficient Sampling of Orthogonal Degrees of Freedom. Journal of chemical information and modeling 63 (1) (2022)