Dr. Paulo César Telles de Souza
Former PhD Student
Paulo’s doctoral and postdoctoral research focused on the structural and dynamic properties of nuclear receptors using molecular dynamics simulations.
Interests
- Nuclear Receptors
- Molecular Dynamics Simulations
- Protein Dynamics
Education
- PhD in Chemistry
Unicamp, Brazil
Publications
(2018).
High performance collision cross section calculation - HPCCS.
Journal of Computational Chemistry, 39(21), 1675-1681.
(2017).
An alternative conformation of ERbeta bound to estradiol reveals H12 in a stable antagonist position.
Scientific Reports, 7(1), 3509.
(2016).
CHARMM force field parameterization of peroxisome proliferator-activated receptor gamma ligands.
International Journal of Molecular Sciences, 18(1), 15.
(2015).
Molecular recognition of PPARgamma by kinase CDK5/p25: Insights from a combination of protein-protein docking and adaptive biasing force simulations.
The Journal of Physical Chemistry B, 119(26), 8330-8339.
(2014).
Identification of a new hormone-binding site on the surface of thyroid hormone receptor.
Molecular Endocrinology, 28(4), 534-545.
(2013).
Molecular mechanism of peroxisome proliferator-activated receptor alpha activation by WY14643.
Journal of Molecular Biology, 425(16), 2878-2893.
(2011).
Analysis of agonist and antagonist effects on thyroid hormone receptor conformation by hydrogen/deuterium exchange.
Molecular Endocrinology, 25(1), 15-31.
(2011).
CHARMM force field parameterization of rosiglitazone.
International Journal of Quantum Chemistry, 111(7-8), 1346-1354.
(2011).
CHARMM-based parameterization of neutral articaine - a widely used local anesthetic.
International Journal of Quantum Chemistry, 111(7-8), 1339-1345.
(2011).
Helix 12 dynamics and thyroid hormone receptor activity: experimental and molecular dynamics studies of Ile280 mutants.
Journal of Molecular Biology, 412(5), 882-893.
(2010).
On the denaturation mechanisms of the ligand binding domain of thyroid hormone receptors.
The Journal of Physical Chemistry B, 114(3), 1529-1540.
Prof. Dr. Munir Salomão Skaf
Full Professor & Principal Investigator
Full Professor at IQ Unicamp working on computational biophysical chemistry, molecular dynamics simulations, and theoretical chemistry.