Advances and Perspectives in Applying Deep Learning for Drug Design and Discovery by Celio F. Lipinski, Vinicius G. Maltarollo, Patricia R. Oliveira, Alberico B. F. da Silva, Kathia Maria Honorio, Kathia Maria Honorio

Get full text

Competition Between Phenothiazines and BH3 Peptide for the Binding Site of the Antiapoptotic BCL-2 Protein by Aline Lagoeiro do Carmo, Fernanda Bettanin, Michell Oliveira Almeida, Simone Queiroz Pantaleão, Tiago Rodrigues, Paula Homem-de-Mello, Kathia Maria Honorio, Kathia Maria Honorio

Get full text

The importance of good practices and false hits for QSAR-driven virtual screening real application: a SARS-CoV-2 main protease (Mpro) case study by Mateus Sá Magalhães Serafim, Mateus Sá Magalhães Serafim, Simone Queiroz Pantaleão, Elany Barbosa da Silva, James H. McKerrow, Anthony J. O’Donoghue, Bruno Eduardo Fernandes Mota, Kathia Maria Honorio, Kathia Maria Honorio, Vinícius Gonçalves Maltarollo

Get full text

Estudo eletroquímico e químico-quântico da oxidação do antidepressivo tricíclico amitriptilina Electrochemical and quantum-chemical studies of the oxidation of the antidepressant a... by Renata Alves de Toledo, Luiz Henrique Mazo, Mauro Coelho dos Santos, Káthia Maria Honório, Albérico Borges Ferreira da Silva, Éder Tadeu Gomes Cavalheiro

Get full text

Effect of the N501Y Mutation on Ligands Complexed with SARS-CoV-2 RBD: Insights on Potential Drug Candidates for COVID-19 by Camila Fonseca Amorim da Silva, Samanta Omae Camalhonte, Michell de Oliveira Almeida, Sheila Cruz Araujo, Miriam Sannomiya, João Henrique Ghilardi Lago, Kathia Maria Honorio

Get full text

Structural Dynamics of DPP-4 and Its Influence on the Projection of Bioactive Ligands by Simone Queiroz Pantaleão, Eric Allison Philot, Pedro Túlio de Resende-Lara, Angélica Nakagawa Lima, David Perahia, Maria Atanassova Miteva, Ana Ligia Scott, Kathia Maria Honorio

Get full text