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» Dynamic maintenance of molecular surfaces under conformation...
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JCC
2008
114views more  JCC 2008»
13 years 5 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,...
BIOINFORMATICS
2006
124views more  BIOINFORMATICS 2006»
13 years 5 months ago
Helix Interaction Tool (HIT): a web-based tool for analysis of helix-helix interactions in proteins
Motivation: In many proteins, helix-helix interactions can be critical to establishing protein conformation (folding) and dynamics, as well as determining associations between pro...
Anne E. Counterman Burba, Ursula Lehnert, Eric Z. ...
BMCBI
2006
122views more  BMCBI 2006»
13 years 5 months ago
A domain-oriented approach to the reduction of combinatorial complexity in signal transduction networks
Background:Receptors and scaffold proteins possess a number of distinct domains and bind multiple partners. A common problem in modeling signaling systems arises from a combinator...
Holger Conzelmann, Julio Saez-Rodriguez, Thomas Sa...