Lightweight object oriented structure analysis: tools for building tools to analyze molecular dynamics simulations

TD Romo, N Leioatts… - Journal of computational …, 2014 - Wiley Online Library
LOOS (Lightweight Object Oriented Structure‐analysis) is a C++ library designed to facilitate
making novel tools for analyzing molecular dynamics simulations by abstracting out the …

Elements toward novel therapeutic targeting of the adrenergic system

A Ghanemi, X Hu - Neuropeptides, 2015 - Elsevier
Adrenergic receptors belong to the family of the G protein coupled receptors that represent
important targets in the modern pharmacotherapies. Studies on different physiological and …

[HTML][HTML] Studying the collective motions of the adenosine A2A receptor as a result of ligand binding using principal component analysis

M Martínez-Archundia, J Correa-Basurto… - Journal of …, 2019 - Taylor & Francis
Adenosine receptors (ARs) belong to family A of GPCRs that are involved in many diseases,
including cerebral and cardiac ischemic diseases, immune and inflammatory disorders, etc …

[HTML][HTML] The World of GPCR dimers–Mapping dopamine receptor D2 homodimers in different activation states and configuration arrangements

B Bueschbell, PR Magalhães, CAV Barreto… - Computational and …, 2023 - Elsevier
G protein-coupled receptors (GPCRs) are known to dimerize, but the molecular and
structural basis of GPCR dimers is not well understood. In this study, we developed a …

Investigation of the conformational dynamics of the apo A2A adenosine receptor

AD Caliman, SE Swift, Y Wang, Y Miao… - Protein …, 2015 - Wiley Online Library
The activation/deactivation processes for G‐protein coupled receptors (GPCRs) have been
computationally studied for several different classes, including rhodopsin, the β2 adrenergic …

Retinal conformation changes rhodopsin's dynamic ensemble

N Leioatts, TD Romo, SA Danial, A Grossfield - Biophysical Journal, 2015 - cell.com
G protein-coupled receptors are vital membrane proteins that allosterically transduce
biomolecular signals across the cell membrane. However, the process by which ligand …

[PDF][PDF] CHARACTERIZATION OF PROTEIN-PROTEIN INTERACTIONS INVOLVING G PROTEIN-COUPLED RECEPTOR 143 BY COMPUTATIONAL AND …

I de Sousa Moreira - 2023 - estudogeral.uc.pt
Os recetores acoplados à proteína G (GPCRs) desempenham funções críticas no
desenvolvimento e progressão de diversas patologias. Muitos membros da família GPCR …

[PDF][PDF] La secreción de factores quimiotácticos promovida por el receptor sensor de calcio es regulada por la GTPASA RAB27B

C Zavala Barrera - 2021 - repositorio.cinvestav.mx
Los factores quimiotácticos y angiogénicos secretados dentro del microambiente tumoral
facilitan la diseminación metastásica de las células cancerosas. El receptor sensor de calcio …

Selectivity determining features in N-myristoyltransferases–a model system for drug targets with conserved binding sites

C Kersten - 2017 - openscience.ub.uni-mainz.de
In rational drug design projects one major goal is to obtain high affinity ligands for a target,
while maintaining selectivity over potential off-targets and thereby reducing unwanted side …