| Molecular dynamics reveals complex compensatory effects of ionic strength on the severe acute respiratory syndrome coronavirus 2 spike/human angiotensin-converting enzyme 2 … A Silva de Souza, JD Rivera, VM Almeida, P Ge, RF de Souza, CS Farah, ... The journal of physical chemistry letters 11 (24), 10446-10453, 2020 | 30 | 2020 |
| Severe Acute Respiratory Syndrome Coronavirus 2 Variants of Concern: A Perspective for Emerging more Transmissible and Vaccine-Resistant Strains AS de Souza, VMDF Amorim, GDA Guardia, FFD Santos, H Ulrich, ... https://www.mdpi.com/1999-4915/14/4/827 14 (4), 1-21, 2022 | 28 | 2022 |
| Quantitative Structure–Activity Relationships for Structurally Diverse Chemotypes Having Anti-Trypanosoma cruzi Activity AS de Souza, LLG Ferreira, AS de Oliveira, AD Andricopulo International Journal of Molecular Sciences 20 (11), 2801, 2019 | 18 | 2019 |
| Development of a pharmacophore for cruzain using oxadiazoles as virtual molecular probes: quantitative structure–activity relationship studies AS de Souza, MT de Oliveira, AD Andricopulo Journal of Computer-Aided Molecular Design 31, 801-816, 2017 | 15 | 2017 |
| Structure–activity relationships of sulfonamides derived from carvacrol and their potential for the treatment of Alzheimer's disease MM de Souza, MC Andreolla, TC Ribeiro, AE Gonçalves, AR Medeiros, ... RSC Medicinal Chemistry 11 (2), 307-316, 2020 | 13 | 2020 |
| Molecular dynamics analysis of fast-spreading severe acute respiratory syndrome coronavirus 2 variants and their effects on the interaction with human angiotensin-converting … AS de Souza, VM de Freitas Amorim, GDA Guardia, FRC Dos Santos, ... ACS omega 7 (35), 30700-30709, 2022 | 12 | 2022 |
| Selenium-derivative compounds: a review of new perspectives in the treatment of Alzheimer’s disease FAR Barbosa, RFS Canto, KF Teixeira, AS de Souza, AS de Oliveira, ... Current Medicinal Chemistry 29, 2022 | 12 | 2022 |
| Quantitative structure-activity relationships, molecular docking and molecular dynamics simulations reveal drug repurposing candidates as potent SARS-CoV-2 main protease inhibitors AS de Souza, RF de Souza, CR Guzzo Journal of Biomolecular Structure and Dynamics 40 (21), 11339-11356, 2022 | 9 | 2022 |
| Molecular dynamics simulations of the Spike trimeric ectodomain of the SARS-CoV-2 Omicron variant: structural relationships with infectivity, evasion to immune system and … AS de Souza, VM de Freitas Amorim, RF de Souza, CR Guzzo Journal of Biomolecular Structure and Dynamics 40, 1-19, 2022 | 8 | 2022 |
| Antioxidant Activity, Molecular Docking, Quantum Studies and In Vivo Antinociceptive Activity of Sulfonamides Derived From Carvacrol AS de Oliveira, LC Llanes, RJ Nunes, C Nucci-Martins, AS de Souza, ... Frontiers in Pharmacology 12, 788850, 2021 | 4 | 2021 |
| 2D and 3D QSAR studies on a series of antichagasic fenarimol derivatives AS De Souza, LG Ferreira, AD Andricopulo International Journal of Quantitative Structure-Property Relationships …, 2017 | 4 | 2017 |
| Monomeric Esterase: Insights into Cooperative Behavior, Hysteresis/Allokairy TC Vinces, AS de Souza, CF Carvalho, AB Visnardi, RD Teixeira, ... Biochemistry, 2024 | 2 | 2024 |
| Cooperative and structural relationships of the trimeric Spike with infectivity and antibody escape of the strains Delta (B.1.617.2) and Omicron (BA.2, BA.5, and BQ.1) AS de Souza, RF de Souza, CR Guzzo Journal of Computer-aided molecular design, 2023 | 2 | 2023 |
| Molecular dynamics reveals complex compensatory effects of ionic strength on the SARS-CoV-2 Spike/hACE-2 interaction AS de Souza, JD Rivera, VM Almeida, P Ge, RF Souza, CS Farah, ... bioRxiv, 2020.08. 25.267351, 2020 | 2 | 2020 |
| Molecular Dynamics Simulations Suggest SARS-CoV-2 3CLpro Mutations in Beta and Omicron Variants Do Not Alter Binding Affinities for Cleavage Sites of Non-Structural Proteins VM de Freitas Amorim, RF de Souza, CR Guzzo, AS de Souza COVID 3 (4), 622-636, 2023 | 1 | 2023 |
| Molecular dynamics simulations of the Spike trimeric ectodomain of the SARS-CoV-2 Omicron variant: structural relationships with infectivity, evasion to immune system and … VMF Amorim, RF de Souza, AS Souza, CR Guzzo bioRxiv, 2022.02. 14.480347, 2022 | 1 | 2022 |
| 3-Chymotrypsin-like Protease (3CLpro): Validation as a Molecular Target, Proposal of a Novel Catalytic Mechanism, and Inhibitors in Preclinical and Clinical Trials VM de Freitas Amorim, EP Soares, AS de Almeida Ferrari, DGS Merighi, ... Preprints, 2024 | | 2024 |
| 3-Chymotrypsin-like Protease (3CLpro): Validation as a Molecular Target, Proposal of a Novel Catalytic Mechanism, and Inhibitors in Preclinical and Clinical Trials VMDF Amorim, EP Soares, ASDA Ferrari, DGS Merigh, RF de Souza, ... preprints.org, 2024 | | 2024 |
| Molecular Dynamics Simulations Suggest Sars-Cov-2 3clpro Mutations in Beta and Omicron Variants do not Alter Binding Affinities for Cleavage Sites of Non-Structural Proteins VMDF Amorim, RF de Souza, CR Guzzo, AS de Souza Preprints, 2023 | | 2023 |
| Molecular and functional basis of a novel Amazonian Dark Earth Esterase 1 (Ade1) with hysteresis behavior and quorum-quenching activity TC Vinces, AS Souza, CF Carvalho, RD Teixeira, BAP Bismara, ... bioRxiv, 2020.12. 16.421545, 2020 | | 2020 |
