CV Lattes
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Universidade de São Paulo (USP). Instituto de Química (IQ) (Institutional affiliation from the last research proposal) Birthplace: Brazil
holds a Bachelor in Chemistry (1999), Ph.D. in Biochemistry (2004) and a Habilitation (2016), obtained at the Institute of Chemistry at the University of São Paulo (IQ-USP). He was a postdoctoral fellow at the Department of Chemistry at the University of Warwick, UK (2005) and at the Department of Fundamental Chemistry at IQ-USP (2006-2007). Currently, he is an Associate Professor at the Institute for Advanced Studies (IEA) of USP and at the Biochemistry Department of USP. He has experience in Physical Chemistry, Biophysics and Biochemistry, with emphasis on the calculation and development of methods in electronic structure, computational enzymology and simulation with potential hybrid (QM/MM), molecular dynamics of proteins and estimation of free energies, and applications of artificial intelligency for biomolécules. (Source: Lattes Curriculum)
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Molecular simulation is a mature research area. Its development has already been recognized in the form of Nobel Prizes and its applications in biophysics and biochemistry are widespread. However, important processes such as proton-coupled electron transfer reactions (PCET) are still less studied because of the lack of methodologies or the inadequacy of current ones. In this project we pr…
Electron transport chain enzymes in mitochondria and bacteria are equipped with transition metal-based prosthetic groups involved in essential oxidoreduction processes. In this project we propose to elucidate catalytic mechanisms and the structural stability of metal cofactors bound in these proteins. We will investigate the mechanisms of proton-electron coupled transfer (PCET) reactions …
We seek funds to help propose and establish a long-term collaboration in both computational bioinorganic chemistry and in high-end computing and its applications in computational science. The authors have collaborated in the past on the former topic, including a peer-reviewed publication. The current activities and future plans of the Health Science Platform at Tianjin University and the…
(Only some records are available in English at this moment)
Respiratory complex I transduces about half of the chemical energy used in a cell by catalyzing the transfer of electrons from the NADH metabolite to coenzyme-Q coupled to proton pumping and the generation of a transmembrane electrochemical gradient. Although decades of research, including impressive recent structural advances, have contributed to unveil the molecular functioning of compl…
(Only some records are available in English at this moment)
Artificial intelligence (AI) methods have revolutionized fields such as language processing, image synthesis, and biomolecular structure prediction. Generative AI models have shown great potential in designing biomolecules with specific properties and structures, applicable in drug discovery, enzyme engineering, synthetic biology, and related areas. A major challenge in biomolecular desig…
The T4 lysozyme L99A mutant is a protein often used to study small molecule binding to macromolecules. Crystal structures of the L99A mutant complexed with ligands show that the opening on the protein surface for ligand entry and scape from the engineered binding site is small. Thus, the protein must have a "conformational breath" to allow ligand excursion to the binding site. However, th…
| 1 / 1 | Ongoing grants |
| 11 / 9 | Completed research grants |
| 14 / 10 | Completed scholarships in Brazil |
| 1 / 1 | Ongoing scholarships abroad |
| 1 / 1 | Completed scholarships abroad |
| 28 / 22 | All research grants and scholarships |
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