Abstract. An important unsolved problem in structural bioinformatics is that of protein structure prediction (PSP), the reconstruction of a biologically plausible three-dimensional...
Stefano Teso, Cristina Di Risio, Andrea Passerini,...
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: Post-translational modifications have a substantial influence on the structure and functions of protein. Post-translational phosphorylation is one of the most common m...
Paul D. Yoo, Yung Shwen Ho, Bing Bing Zhou, Albert...
Background: The simulation of metabolic networks in quantitative systems biology requires the assignment of enzymatic kinetic parameters. Experimentally determined values are ofte...
Razif R. Gabdoulline, Matthias Stein, Rebecca C. W...
Abstract— Quantum mechanics and molecular dynamic simulation provide important insights into structural configurations and molecular interaction data today. To extend this atomi...
Preetam Ghosh, Samik Ghosh, Kalyan Basu, Sajal K. ...