|
|||||
|
|
Computational chemistry study of 3D‐structure‐function relationships for enzymes based on Markov models for protein electrostatic,HINT, and van der Waals potentials |
|
| Authors: | Riccardo Concu Gianni Podda Eugenio Uriarte Humberto González‐Díaz |
| Institution: | 1. Unit of Bioinformatics and Connectivity Analysis (UBICA), Institute for Industrial Pharmacy, Faculty of Pharmacy, and Department of Organic Chemistry, University of Santiago de Compostela, Santiago de Compostela (USC), 15782, Spain;2. Dipartimento Farmaco Chimico Tecnologico, Facoltà di Farmacia, Universitá Degli Studi di Cagliari, Cagliari 09124, Italy;3. Department of Microbiology and Parasitology, USC, Santiago de Compostela, 15782, Spain |
| Abstract: | |
| Keywords: | 3D‐QSAR Markov chains protein structure‐function relationship electrostatic potential van der Waals potential HINT potential enzymes machine learning artificial neural networks |