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List of works by Paulo C.T. Souza

An Allosteric Pathway in Copper, Zinc Superoxide Dismutase Unravels the Molecular Mechanism of the G93A Amyotrophic Lateral Sclerosis-Linked Mutation

scientific article published on 03 December 2019

An alternative conformation of ERβ bound to estradiol reveals H12 in a stable antagonist position

scientific article

Analysis of agonist and antagonist effects on thyroid hormone receptor conformation by hydrogen/deuterium exchange.

scientific article

CHARMM Force Field Parameterization of Peroxisome Proliferator-Activated Receptor γ Ligands

scientific article (publication date: 22 December 2016)

Capturing Choline-Aromatics Cation-π Interactions in the MARTINI Force Field

scientific article published on 09 March 2020

Computational Modeling of Realistic Cell Membranes

scientific article published on 09 January 2019

GQ-16, a Novel Peroxisome Proliferator-activated Receptor   (PPAR ) Ligand, Promotes Insulin Sensitization without Weight Gain

scientific article

Helix 12 dynamics and thyroid hormone receptor activity: experimental and molecular dynamics studies of Ile280 mutants

scientific article published on 21 April 2011

High performance collision cross section calculation-HPCCS

scientific article published on 02 March 2018

Identification of a new hormone-binding site on the surface of thyroid hormone receptor

scientific article

Improved Parameterization of Phosphatidylinositide Lipid Headgroups for the Martini 3 Coarse-Grain Force Field

scientific article published on 28 December 2021

Medium Chain Fatty Acids Are Selective Peroxisome Proliferator Activated Receptor (PPAR) γ Activators and Pan-PPAR Partial Agonists ⬇️

scientific article published on May 23, 2012

Molecular Recognition of PPARγ by Kinase Cdk5/p25: Insights from a Combination of Protein-Protein Docking and Adaptive Biasing Force Simulations.

scientific article published on 19 June 2015

Pitfalls of the Martini Model

scientific article published on 24 September 2019

Polyply; a python suite for facilitating simulations of macromolecules and nanomaterials

scientific article published on 10 January 2022

Protein-ligand binding with the coarse-grained Martini model

scientific article published on 24 July 2020

Sequential Voxel-Based Leaflet Segmentation of Complex Lipid Morphologies

scientific article published on 06 October 2021

Titratable Martini model for constant pH simulations

scientific article published on 01 July 2020

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