Flexible Gaussian Accelerated Molecular Dynamics to Enhance Biological Sampling

por Gracia Carmona, Oriol, Oostenbrink, Chris
Publicado 2023

Accelerated Enveloping Distribution Sampling (AEDS) Allows for Efficient Sampling of Orthogonal Degrees of Freedom

por Gracia Carmona, Oriol, Oostenbrink, Chris
Publicado 2022

Accelerated Enveloping Distribution Sampling to Probe the Presence of Water Molecules

por Gracia Carmona, Oriol, Gillhofer, Michael, Tomasiak, Lisa, De Ruiter, Anita, Oostenbrink, Chris
Publicado 2023

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

por Mansouri, Hamid R., Gracia Carmona, Oriol, Jodlbauer, Julia, Schweiger, Lorenz, Fink, Michael J., Breslmayr, Erik, Laurent, Christophe, Feroz, Saima, P. Goncalves, Leticia C., Rial, Daniela V., Mihovilovic, Marko D., Bommarius, Andreas S., Ludwig, Roland, Oostenbrink, Chris, Rudroff, Florian
Publicado 2022