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Elucidating the role of disorder during biomolecular fuction

Grant number: 14/50739-5
Support type:Regular Research Grants
Duration: May 01, 2017 - April 30, 2019
Field of knowledge:Physical Sciences and Mathematics - Physics
Mobility Program: SPRINT - Projetos de pesquisa - Mobilidade
Principal Investigator:Vitor Barbanti Pereira Leite
Grantee:Vitor Barbanti Pereira Leite
Principal investigator abroad: Paul Charles Whitford
Institution abroad: Northeastern University, United States
Home Institution: Instituto de Biociências, Letras e Ciências Exatas (IBILCE). Universidade Estadual Paulista (UNESP). Campus de São José do Rio Preto. São José do Rio Preto , SP, Brazil
Associated research grant:14/06862-7 - Computational studies in protein folding and enzymes engineering involved in bioethanol production, AP.R


Understanding the relationship between structure, energetics and functional dynamics of proteins is a major challenge in molecular biophysics. In this project, we will bring together a bi-national, multi-institutional team of leading research groups that will aim to reveal how molecular disorder is utilized during biological function. In particular, we will investigate how partial transient disorder is linked to large-scale conformational transitions in Ras GTPase and estrogen receptor ligand-binding domain. Through the combined efforts of X-ray crystallography and mutagenesis, EPR spectroscopy and molecular simulations, we will elucidate the molecular determinants that govern large-scale conformational transitions associated with function in these proteins. By studying both proteins, we anticipate that insights into the role of disorder during function, and the tools for characterizing disorder, will be transferrable. Accordingly, scientific finding for each system will be mutually beneficial, allowing our team to draw more broad insights into the physical-chemical principles that regulate biological dynamics. (AU)

Scientific publications
(References retrieved automatically from Web of Science and SciELO through information on FAPESP grants and their corresponding numbers as mentioned in the publications by the authors)
OLIVEIRA, JR., ANTONIO B.; YANG, HUAN; WHITFORD, PAUL C.; LEITE, VITOR B. P. Distinguishing Biomolecular Pathways and Metastable States. JOURNAL OF CHEMICAL THEORY AND COMPUTATION, v. 15, n. 11, p. 6482-6490, NOV 2019. Web of Science Citations: 0.
YANG, HUAN; BANDARKAR, PRASAD; HORNE, RANSOM; LEITE, VITOR B. P.; CHAHINE, JORGE; WHITFORD, PAUL C. Diffusion of tRNA inside the ribosome is position-dependent. Journal of Chemical Physics, v. 151, n. 8 AUG 28 2019. Web of Science Citations: 0.

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