Taba: A Tool to Analyze the Binding Affinity
da Silva, Amauri Duarte, Bitencourt‐Ferreira, Gabriela, Azevedo, Walter Filgueira
Published in Journal of computational chemistry (05.01.2020)
Published in Journal of computational chemistry (05.01.2020)
Get full text
Journal Article
Application of Machine Learning Techniques to Predict Binding Affinity for Drug Targets: A Study of Cyclin-Dependent Kinase 2
Bitencourt-Ferreira, Gabriela, Duarte da Silva, Amauri, Filgueira de Azevedo, Jr, Walter
Published in Current medicinal chemistry (01.01.2021)
Published in Current medicinal chemistry (01.01.2021)
Get more information
Journal Article
SAnDReS 2.0: Development of machine-learning models to explore the scoring function space
de Azevedo, Jr, Walter Filgueira, Quiroga, Rodrigo, Villarreal, Marcos Ariel, da Silveira, Nelson José Freitas, Bitencourt-Ferreira, Gabriela, da Silva, Amauri Duarte, Veit-Acosta, Martina, Oliveira, Patricia Rufino, Tutone, Marco, Biziukova, Nadezhda, Poroikov, Vladimir, Tarasova, Olga, Baud, Stéphaine
Published in Journal of computational chemistry (15.10.2024)
Published in Journal of computational chemistry (15.10.2024)
Get full text
Journal Article
Development of machine learning models to predict inhibition of 3‐dehydroquinate dehydratase
Ávila, Maurício Boff, Azevedo, Walter Filgueira
Published in Chemical biology & drug design (01.08.2018)
Published in Chemical biology & drug design (01.08.2018)
Get full text
Journal Article
Molegro Virtual Docker for Docking
Bitencourt-Ferreira, Gabriela, de Azevedo, Jr, Walter Filgueira
Published in Methods in molecular biology (Clifton, N.J.) (01.01.2019)
Published in Methods in molecular biology (Clifton, N.J.) (01.01.2019)
Get more information
Journal Article
Understanding the Structural Basis for Inhibition of Cyclin-Dependent Kinases. New Pieces in the Molecular Puzzle
Levin, Nayara M Bernhardt, Pintro, Val Oliveira, de Avila, Mauricio Boff, de Mattos, Bruna Boldrini, De Azevedo, Jr, Walter Filgueira
Published in Current drug targets (01.07.2017)
Published in Current drug targets (01.07.2017)
Get more information
Journal Article
Docking with SwissDock
Bitencourt-Ferreira, Gabriela, de Azevedo, Jr, Walter Filgueira
Published in Methods in molecular biology (Clifton, N.J.) (01.01.2019)
Published in Methods in molecular biology (Clifton, N.J.) (01.01.2019)
Get more information
Journal Article
SAnDReS a Computational Tool for Statistical Analysis of Docking Results and Development of Scoring Functions
Xavier, Mariana Morrone, Heck, Gabriela Sehnem, Avila, Mauricio Boff de, Levin, Nayara Maria Bernhardt, Pintro, Val Oliveira, Carvalho, Nathalia Lemes, Azevedo, Walter Filgueira de
Published in Combinatorial chemistry & high throughput screening (01.01.2016)
Published in Combinatorial chemistry & high throughput screening (01.01.2016)
Get more information
Journal Article
Docking with AutoDock4
Bitencourt-Ferreira, Gabriela, Pintro, Val Oliveira, de Azevedo, Jr, Walter Filgueira
Published in Methods in molecular biology (Clifton, N.J.) (01.01.2019)
Published in Methods in molecular biology (Clifton, N.J.) (01.01.2019)
Get more information
Journal Article
Interaction of copper potential metallodrugs with TMPRSS2: A comparative study of docking tools and its implications on COVID-19
Vazquez-Rodriguez, Sergio, Ramírez-Contreras, Diego, Noriega, Lisset, García-García, Amalia, Sánchez-Gaytán, Brenda L, Melendez, Francisco J, Castro, María Eugenia, de Azevedo, Jr, Walter Filgueira, González-Vergara, Enrique
Published in Frontiers in chemistry (26.01.2023)
Published in Frontiers in chemistry (26.01.2023)
Get full text
Journal Article
Hydrogen Bonds in Protein-Ligand Complexes
Bitencourt-Ferreira, Gabriela, Veit-Acosta, Martina, de Azevedo, Jr, Walter Filgueira
Published in Methods in molecular biology (Clifton, N.J.) (01.01.2019)
Published in Methods in molecular biology (Clifton, N.J.) (01.01.2019)
Get more information
Journal Article
Homology Modeling of Protein Targets with MODELLER
Bitencourt-Ferreira, Gabriela, de Azevedo, Jr, Walter Filgueira
Published in Methods in molecular biology (Clifton, N.J.) (01.01.2019)
Published in Methods in molecular biology (Clifton, N.J.) (01.01.2019)
Get more information
Journal Article
Molecular Docking Simulations with ArgusLab
Bitencourt-Ferreira, Gabriela, de Azevedo, Jr, Walter Filgueira
Published in Methods in molecular biology (Clifton, N.J.) (01.01.2019)
Published in Methods in molecular biology (Clifton, N.J.) (01.01.2019)
Get more information
Journal Article
Machine Learning to Predict Binding Affinity
Bitencourt-Ferreira, Gabriela, de Azevedo, Jr, Walter Filgueira
Published in Methods in molecular biology (Clifton, N.J.) (01.01.2019)
Published in Methods in molecular biology (Clifton, N.J.) (01.01.2019)
Get more information
Journal Article