Reconstruction of Diamond (001) Surface: A Monte Carlo Study with the Tersoff Potential

Monte Carlo study of ligand–protein bind

Monte Carlo study of ligand–protein binding energy landscapes with the weighted histogram analysis method

✍ Djamal Bouzida; Paul A. Rejto; Gennady M. Verkhivker 📂 Article 📅 1999 🏛 John Wiley and Sons 🌐 English ⚖ 235 KB 👁 1 views

The thermodynamics of molecular recognition is investigated by a statistical energy landscape approach, where the temperature profile of the ligand᎐protein binding process is determined using the weighted histogram analysis method. The analysis reveals differences in the binding energy landscapes of