The dynamics of inter-residue distances in bovine pancreatic trypsin inhibitor

Wael I. Karain, Basem Ajarmah and Nael I. Qaraeen

Physica A: Statistical Mechanics and its Applications, 2007, vol. 376, issue C, 394-400

Abstract: Time series for the distance between selected residues surrounding the active site in bovine pancreatic trypsin inhibitor (BPTI) protein are analyzed using a one-dimensional Langevin-type stochastic difference equation. The time series are extracted from molecular dynamics simulations performed on the protein in vacuum and water. The deterministic and stochastic contributions to the time series show interesting behavior for certain residue pairs only, and only in solvated molecular dynamics simulations.

Keywords: Langevin equation; Protein conformations; Time-series analysis (search for similar items in EconPapers)
Date: 2007
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Persistent link: https://EconPapers.repec.org/RePEc:eee:phsmap:v:376:y:2007:i:c:p:394-400

DOI: 10.1016/j.physa.2006.10.070

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