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BMCBI
2010
175views more  BMCBI 2010»
13 years 7 months ago
Calibur: a tool for clustering large numbers of protein decoys
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...
Shuai Cheng Li, Yen Kaow Ng
BMCBI
2008
242views more  BMCBI 2008»
13 years 7 months ago
New time-scale criteria for model simplification of bio-reaction systems
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...
BMCBI
2007
119views more  BMCBI 2007»
13 years 7 months ago
Conceptual-level workflow modeling of scientific experiments using NMR as a case study
Background: Scientific workflows improve the process of scientific experiments by making computations explicit, underscoring data flow, and emphasizing the participation of humans...
Kacy K. Verdi, Heidi J. C. Ellis, Michael R. Gryk
BMCBI
2008
129views more  BMCBI 2008»
13 years 7 months ago
An analytic and systematic framework for estimating metabolic flux ratios from 13C tracer experiments
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...
JCC
2008
114views more  JCC 2008»
13 years 7 months ago
Molecular simulation of multistate peptide dynamics: A comparison between microsecond timescale sampling and multiple shorter tr
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,...