Modeling of electronic structure of complexes with molecular oxygen, based on semiempirical multiconfiguration self-consistent field method

Improvement of side-chain modeling in pr

Improvement of side-chain modeling in proteins with the self-consistent mean field theory method based on an analysis of the factors influencing prediction

✍ Joaquim Mendes; Cláudio M. Soares; Maria Arménia Carrondo 📂 Article 📅 1999 🏛 Wiley (John Wiley & Sons) 🌐 English ⚖ 366 KB 👁 3 views

With the objective of improving side-chain conformation prediction, we have analyzed the influence of various factors on prediction by the Self-Consistent Mean Field Theory method, applied to a set of high resolution x-ray protein structure models. These factors may be classed as variations in the m