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ronaldolab

Laboratório de Biofísica Teórica

Laboratório de Biofísica Teórica

Our research

focus on simplified computational biophysics techniques applied in

protein folding diffusion mechanisms

molecular dynamics simulations

protein-drug development

developing projects on

SBM

Structure-Based Models

in all All-Atom and Carbon-alpha graining

MODELING

Protein modeling prior to SBM MD thermodynamics and kinectis characterization

DIFFUSION

Protein folding diffusion

with SBM molecular dynamics simulations

DOCKING

Synthesis-docking evaluation of drugs candidates to disease treatment

THERMODYNAMICS

Thermodynamics characterization of protein using SBM MD simulations

KINETICS

Kinetics characterization using SBM simulations and analytical diffusion equations

Projects

on campus Univerdecidade

Selected publications

2016 - Gold(III) complexes with ONS-Tridentate thiosemicarbazones: Toward selective trypanocidal drugs. European Journal of Medicinal Chemistry.

2012 - Topography of funneled landscapes determines the thermodynamics and kinetics of protein folding. Proceedings of the National Academy of Sciences of the United States of America.

2007 - Configuration-dependent diffusion can shift the kinetic transition state and barrier height of protein folding. Proceedings of the National Academy of Sciences of the United States of America.

Full list of publications

Publications

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Contact

Full list of the team

Team

Contact

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