Background: Ab initio protein structure prediction methods generate numerous structural candidates, which are referred to as decoys. The decoy with the most number of neighbors of...
Background: Quasi-steady state approximation (QSSA) based on time-scale analysis is known to be an effective method for simplifying metabolic reaction system, but the conventional...
Junwon Choi, Kyung-won Yang, Tai-yong Lee, Sang Yu...
Background: Scientific workflows improve the process of scientific experiments by making computations explicit, underscoring data flow, and emphasizing the participation of humans...
Background: Metabolic fluxes provide invaluable insight on the integrated response of a cell to environmental stimuli or genetic modifications. Current computational methods for e...
Ari Rantanen, Juho Rousu, Paula Jouhten, Nicola Za...
Abstract: Molecular dynamics simulations of the RN24 peptide, which includes a diverse set of structurally heterogeneous states, are carried out in explicit solvent. Two approaches...
Luca Monticelli, Eric J. Sorin, D. Peter Tieleman,...