J Comput Chem

Membrane lipids are both the substrates and a mechanistically responsive environment of TMEM16 scramblase proteins.

Khelashvili G, Cheng X, Falzone ME, ..., Accardi A, Weinstein H

J Comput Chem 41 (6) 538-551 [2020-03-05; online 2019-11-21]

DDLS Fellow Milka Doktorova

An efficient and extensible format, library, and API for binary trajectory data from molecular simulations.

Lundborg M, Apostolov R, Spångberg D, ..., van der Spoel D, Lindahl E

J Comput Chem 35 (3) 260-269 [2014-01-30; online 2013-11-20]

Affiliated researcher

PHAISTOS: a framework for Markov chain Monte Carlo simulation and inference of protein structure.

Boomsma W, Frellsen J, Harder T, ..., Ferkinghoff-Borg J, Hamelryck T

J Comput Chem 34 (19) 1697-1705 [2013-07-15; online 2013-04-26]

Affiliated researcher