Automated molecule editing in molecular design. - Peter W. Kenny; Carlos Alberto Montanari; Igor M. Prokopczyk; Fernanda A. Sala; Geraldo Rodrigues Sartori (J. Comput. Aided Mol. Des., 2013)

The influence of hydrogen bonding on partition coefficients. - Nádia Melo Borges; Peter W. Kenny; Carlos Alberto Montanari; Igor M. Prokopczyk; Jean F. R. Ribeiro; Josmar R. Rocha; Geraldo Rodrigues Sartori (J. Comput. Aided Mol. Des., 2017)

Investigation of Unprecedented Sites and Proposition of New Ligands for Programmed Cell Death Protein I through Molecular Dynamics with Probes and Virtual Screening. - Luca Andrade; Aline Albuquerque; Andrielly Santos-Costa; Disraeli Vasconcelos; Wilson Savino; Geraldo Rodrigues Sartori; João Herminio Martins Da Silva (J. Chem. Inf. Model., 2022)

Discovery of New Zika Protease and Polymerase Inhibitors through the Open Science Collaboration Project OpenZika. - Melina Mottin; Bruna Katiele de Paula Sousa; Nathalya Cristina de Moraes Roso Mesquita; Ketllyn Irene Zagato de Oliveira; Gabriela Dias Noske; Geraldo Rodrigues Sartori; Aline Albuquerque; Fabio Urbina; Ana C. Puhl; José Teófilo Moreira-Filho; Guilherme E. Souza; Rafael V. C. Guido; et al. (J. Chem. Inf. Model., 2022)

Immunoinformatics-guided design of a multi-valent vaccine against Rotavirus and Norovirus (ChRNV22). - Amanda de Oliveira Matos; Thaís Cristina Vilela Rodrigues; Sandeep Tiwari; Pedro Henrique dos Santos Dantas; Geraldo Rodrigues Sartori; Vasco Ariston de Carvalho Azevedo; João Herminio Martins Da Silva; Siomar de Castro Soares; Marcelle Silva-Sales; Helioswilton Sales-Campos (Comput. Biol. Medicine, 2023)

AbSet: A Standardized Data Set of Antibody Structures for Machine Learning Applications. - Diego S. Almeida; Matheus V. Almeida; Jean V. Sampaio; Eduardo M. Gaieta; Andrielly H. S. Costa; Francisco F. A. Rabelo; César Lincoln Cavalcante Mattos; Geraldo Rodrigues Sartori; João Herminio Martins Da Silva (J. Chem. Inf. Model., 2025)