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...
Background: Recent advances in molecular biology techniques provide an opportunity for developing detailed mathematical models of biological processes. An iterative scheme is intr...
Kapil G. Gadkar, Rudiyanto Gunawan, Francis J. Doy...
Based on the thermodynamic concept of a reservoir, we investigate a computational model for interaction with unresolved degrees of freedom (a thermal bath). We assume that a finite...
Molecular dynamics simulations have been employed by biologists to study the protein folding problem. Such simulations have resulted in a large number of protein folding trajector...
Hui Yang, Saurabh Gupte, Runtang Wang, Rahul Parte
In recent years, there has been increasing interest in computational models of biological systems based on various calculi of communicating processes, such as the stochastic pi-ca...