A comparative study of the simulated-annealing and Monte Carlo-with-minimization approaches to the minimum-energy structures of polypeptides: [Met]-enkephalin

High directional Monte Carlo procedure c

High directional Monte Carlo procedure coupled with the temperature heating and annealing as a method to obtain the global energy minimum structure of polypeptides and proteins

✍ Jae Kwang Shin; Mu Shik Jhon 📂 Article 📅 1991 🏛 Wiley (John Wiley & Sons) 🌐 English ⚖ 759 KB

A high directional Monte Carlo procedure that predicts the topology of the energy hypersurface before it walks, is developed as a method to obtain a global energy minimum structure of polypeptides and proteins. It calculates its covariance matrix, which controls the individual trial step distributio