Single Correction Function for Computing Retarded van der Waals Attraction

Computational chemistry study of 3D-stru

Computational chemistry study of 3D-structure-function relationships for enzymes based on Markov models for protein electrostatic, HINT, and van der Waals potentials

✍ Riccardo Concu; Gianni Podda; Eugenio Uriarte; Humberto González-Díaz 📂 Article 📅 2009 🏛 John Wiley and Sons 🌐 English ⚖ 408 KB

## Abstract In a significant work, Dobson and Doig (J Mol Biol 2003, 330, 771) illustrated protein prediction as enzymatic or not from spatial structure without resorting to alignments. They used 52 protein features and a nonlinear support vector machine model to classify more than 1000 proteins co