Lidmar J

Predictions of Skin Permeability Using Molecular Dynamics Simulation from Two-Dimensional Sampling of Spatial and Alchemical Perturbation Reaction Coordinates

Lundborg M, Wennberg C, Lidmar J, ..., Lindahl E, Norlén L

- - (-) - [2022-02-10; online 2022-02-10]

The accelerated weight histogram method for alchemical free energy calculations.

Lundborg M, Lidmar J, Hess B

J Chem Phys 154 (20) 204103 [2021-05-28; online 2021-07-10]