Micelle Maker: An Online Tool for Generating Equilibrated Micelles as Direct Input for Molecular Dynamics Simulations

by Dennis M. Krüger, Shina C. L. Kamerlin
Published 2017-08-01

Epoxide hydrolysis as a model system for understanding flux through a branched reaction scheme

by Åsa Janfalk Carlsson, Paul Bauer, Doreen Dobritzsch, Shina C. L. Kamerlin, Mikael Widersten
Published 2018-05-01

De novo active sites for resurrected Precambrian enzymes

by Valeria A. Risso, Sergio Martinez-Rodriguez, Adela M. Candel, Dennis M. Krüger, David Pantoja-Uceda, Mariano Ortega-Muñoz, Francisco Santoyo-Gonzalez, Eric A. Gaucher, Shina C. L. Kamerlin, Marta Bruix, Jose A. Gavira, Jose M. Sanchez-Ruiz
Published 2017-07-01

The evolution of multiple active site configurations in a designed enzyme

by Nan-Sook Hong, Dušan Petrović, Richmond Lee, Ganna Gryn’ova, Miha Purg, Jake Saunders, Paul Bauer, Paul D. Carr, Ching-Yeh Lin, Peter D. Mabbitt, William Zhang, Timothy Altamore, Chris Easton, Michelle L. Coote, Shina C. L. Kamerlin, Colin J. Jackson
Published 2018-09-01

Heme-binding enables allosteric modulation in an ancient TIM-barrel glycosidase

by Gloria Gamiz-Arco, Luis I. Gutierrez-Rus, Valeria A. Risso, Beatriz Ibarra-Molero, Yosuke Hoshino, Dušan Petrović, Jose Justicia, Juan Manuel Cuerva, Adrian Romero-Rivera, Burckhard Seelig, Jose A. Gavira, Shina C. L. Kamerlin, Eric A. Gaucher, Jose M. Sanchez-Ruiz
Published 2021-01-01