xTRAM: Estimating Equilibrium Expectations from Time-Correlated Simulation Data at Multiple Thermodynamic States

by Antonia S. J. S. Mey, Hao Wu, Frank Noé
Published 2014-10-01

Self-organized emergence of folded protein-like network structures from geometric constraints.

by Nora Molkenthin, Steffen Mühle, Antonia S J S Mey, Marc Timme
Published 2020-01-01

Effect of set up protocols on the accuracy of alchemical free energy calculation over a set of ACK1 inhibitors.

by José M Granadino-Roldán, Antonia S J S Mey, Juan J Pérez González, Stefano Bosisio, Jaime Rubio-Martinez, Julien Michel
Published 2019-01-01