Daniel Platero Rochart

Daniel Platero Rochart

Medizinische Universität Graz - Graz / Austria
Natural Sciences / Chemical Sciences
AD Scientific Index ID: 5107224
Medical University of Graz
person_outline Daniel Platero Rochart's MOST POPULAR ARTICLES
1-) Prediction of enzyme catalysis by computing reaction energy barriers via steered QM/MM molecular dynamics simulations and machine learning Journal of Chemical Information and Modeling 63 (15), 4623-4632, 2023
2-) BitQT: a graph-based approach to the quality threshold clustering of molecular dynamics Bioinformatics 38 (1), 73-79, 2022
3-) RCDPeaks: memory-efficient density peaks clustering of long molecular dynamics Bioinformatics 38 (7), 1863-1869, 2022
4-) RCDPeaks: memory-efficient density peaks clustering of long molecular dynamicsD Platero-Rochart, R González-Alemán, EW Hernández-Rodríguez, ...Bioinformatics 38 (7), 1863-1869, 202242022
5-) Study of stereocontrol in enzymatic reactions using atomic models and computational methodsD Platero-Rochart, PA Sánchez-MurciaBiocatalysis in Asymmetric Synthesis, 65-99, 20242024