SAnDReS a computational tool for statistical analysis of docking results and development of scoring functions M Morrone Xavier, G Sehnem Heck, M Boff de Avila, ... Combinatorial chemistry & high throughput screening 19 (10), 801-812, 2016 | 108 | 2016 |
Supervised machine learning methods applied to predict ligand-binding affinity G S. Heck, V O. Pintro, R R. Pereira, M B. de æ# 129; vila, N MB Levin, ... Current medicinal chemistry 24 (23), 2459-2470, 2017 | 89 | 2017 |
Supervised machine learning techniques to predict binding affinity. A study for cyclin-dependent kinase 2 MB de Ávila, MM Xavier, VO Pintro, WF de Azevedo Jr Biochemical and biophysical research communications 494 (1-2), 305-310, 2017 | 64 | 2017 |
Understanding the structural basis for inhibition of cyclin-dependent kinases. New pieces in the molecular puzzle N M. Bernhardt Levin, V Oliveira Pintro, M Boff de Avila, ... Current drug targets 18 (9), 1104-1111, 2017 | 54 | 2017 |
Development of machine learning models to predict inhibition of 3‐dehydroquinate dehydratase MB De Ávila, WF de Azevedo Jr Chemical biology & drug design 92 (2), 1468-1474, 2018 | 34 | 2018 |
Structural basis for inhibition of enoyl-[acyl carrier protein] reductase (InhA) from Mycobacterium tuberculosis MB de Ávila, G Bitencourt-Ferreira, WF de Azevedo Current Medicinal Chemistry 27 (5), 745-759, 2020 | 23 | 2020 |
Data mining of docking results. Application to 3-dehydroquinate dehydratase MB de Avila, WF de Azevedo Curr Bioinf 9, 361-379, 2014 | 12 | 2014 |
Modelos computacionais para previsão de afinidade entre ligantes e proteínas alvos para o desenvolvimento de fármacos MB Ávila Pontifícia Universidade Católica do Rio Grande do Sul, 2020 | | 2020 |
Biologia de sistemas computacional aplicada à via metabólica do chiquimato: enfoque na enzima 3-desidroquinato desidratase (EC 4.2. 1.10) MB Ávila Pontifícia Universidade Católica do Rio Grande do Sul, 2017 | | 2017 |
Supplementary Material SAnDReS a Computational Tool for Statistical Analysis of Docking Results and Development of Scoring Functions MM Xavier, GS Heck, MB de Avila, N Maria, B Levin, VO Pintro, ... | | |