Regina Politi
Overview
Explore the profile of Regina Politi including associated specialties, affiliations and a list of published articles.
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10
Citations
271
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Recent Articles
1.
Alves V, Muratov E, Capuzzi S, Politi R, Low Y, Braga R, et al.
Green Chem
. 2017 May;
18(16):4348-4360.
PMID: 28503093
Structural alerts are widely accepted in chemical toxicology and regulatory decision support as a simple and transparent means to flag potential chemical hazards or group compounds into categories for read-across....
2.
Politi R, Convertino M, Popov K, Dokholyan N, Tropsha A
J Chem Inf Model
. 2016 Apr;
56(6):1032-41.
PMID: 27050767
The CSAR 2014 exercise provided an important benchmark for testing current approaches for pose identification and ligand ranking using three X-ray characterized proteins: Factor Xa (FXa), Spleen Tyrosine Kinase (SYK),...
3.
Lau A, Politi R, Yang G, Chang T
J Steroid Biochem Mol Biol
. 2016 Apr;
163:59-67.
PMID: 27041117
It has been reported that quercetin is an activator of rat vitamin D receptor (rVDR). However, the conclusion was based on experiments performed without all the appropriate control groups, raising...
4.
Mansouri K, Abdelaziz A, Rybacka A, Roncaglioni A, Tropsha A, Varnek A, et al.
Environ Health Perspect
. 2016 Feb;
124(7):1023-33.
PMID: 26908244
Background: Humans are exposed to thousands of man-made chemicals in the environment. Some chemicals mimic natural endocrine hormones and, thus, have the potential to be endocrine disruptors. Most of these...
5.
Fourches D, Politi R, Tropsha A
J Chem Inf Model
. 2014 Dec;
55(1):63-71.
PMID: 25521713
As part of the CSAR 2013 benchmark exercise, we have implemented a hybrid docking and scoring workflow to rank 10 steroid ligands of an engineered digoxigenin-binding protein. Schrödinger's Glide docking...
6.
Politi R, Rusyn I, Tropsha A
Toxicol Appl Pharmacol
. 2014 Jul;
280(1):177-89.
PMID: 25058446
The thyroid hormone receptor (THR) is an important member of the nuclear receptor family that can be activated by endocrine disrupting chemicals (EDC). Quantitative Structure-Activity Relationship (QSAR) models have been...
7.
Sukenik S, Politi R, Ziserman L, Danino D, Friedler A, Harries D
PLoS One
. 2011 Jan;
6(1):e15608.
PMID: 21249221
Amyloid fiber formation is a specific form of protein aggregation, often resulting from the misfolding of native proteins. Aimed at modeling the crowded environment of the cell, recent experiments showed...
8.
Politi R, Harries D
Chem Commun (Camb)
. 2010 Jul;
46(35):6449-51.
PMID: 20657920
We determined the added enthalpic and entropic contributions of protective osmolytes to the folding of a model peptide into its native beta-hairpin state. In contrast to entropically driven steric "crowding",...
9.
Politi R, Sapir L, Harries D
J Phys Chem A
. 2009 May;
113(26):7548-55.
PMID: 19432403
Using molecular dynamics simulations, we study the effect of polyalcohols on water structuring in concentrated solutions, comparing six different polyols that vary in the number of hydroxyl groups and internal...
10.
Yosef E, Politi R, Choi M, Shifman J
J Mol Biol
. 2008 Oct;
385(5):1470-80.
PMID: 18845160
Calmodulin (CaM) is a ubiquitous second messenger protein that regulates a variety of structurally and functionally diverse targets in response to changes in Ca(2+) concentration. CaM-dependent protein kinase II (CaMKII)...