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» Physics-based simulation of biological structures
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RECOMB
2007
Springer
14 years 8 months ago
Free Energy Estimates of All-Atom Protein Structures Using Generalized Belief Propagation
We present a technique for approximating the free energy of protein structures using Generalized Belief Propagation (GBP). The accuracy and utility of these estimates are then demo...
Hetunandan Kamisetty, Eric P. Xing, Christopher Ja...
RECOMB
2009
Springer
14 years 8 months ago
An Online Approach for Mining Collective Behaviors from Molecular Dynamics Simulations
Collective behavior involving distally separate regions in a protein is known to widely affect its function. In this paper, we present an online approach to study and characterize ...
Arvind Ramanathan, Pratul K. Agarwal, Maria Kurnik...
RECOMB
2006
Springer
14 years 8 months ago
Simulating Protein Motions with Rigidity Analysis
Abstract. Protein motions, ranging from molecular flexibility to largescale conformational change, play an essential role in many biochemical processes. Despite the explosion in ou...
Shawna L. Thomas, Xinyu Tang, Lydia Tapia, Nancy M...
BMCBI
2007
161views more  BMCBI 2007»
13 years 7 months ago
Efficient classification of complete parameter regions based on semidefinite programming
Background: Current approaches to parameter estimation are often inappropriate or inconvenient for the modelling of complex biological systems. For systems described by nonlinear ...
Lars Kuepfer, Uwe Sauer, Pablo A. Parrilo
WEBI
2010
Springer
13 years 5 months ago
Stochastic Simulation of Web Users
A biologically inspired cognitive model is presented for human decision making and applied to the simulation of the web user. The model is based on the Neurophysiology description ...
Pablo E. Román, Juan D. Velásquez