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A Mechanistic Model of NMDA and AMPA Receptor-Mediated Synaptic Transmission in Individual Hippocampal CA3-CA1 Synapses: A Computational Multiscale Approach

International journal of molecular sciences, 2021-02, Vol.22 (4), p.1536

2021

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Multiscale simulations on human Frizzled and Taste2 GPCRs

Current opinion in structural biology, 2019-04, Vol.55, p.8-16

2019

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Predicting ligand binding poses for low-resolution membrane protein models: Perspectives from multiscale simulations

Biochemical and biophysical research communications, 2018-03, Vol.498 (2), p.366-374

2018

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Coarse-grained/molecular mechanics of the TAS2R38 bitter taste receptor: experimentally-validated detailed structural prediction of agonist binding

PloS one, 2013-05, Vol.8 (5), p.e64675

2013

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Structure-function relationships of the disease-linked A218T oxytocin receptor variant

Molecular psychiatry, 2022-02, Vol.27 (2), p.907-917

2022

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Low Molecular Weight Inhibitors Targeting the RNA-Binding Protein HuR

International journal of molecular sciences, 2023-09, Vol.24 (17), p.13127

2023

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CGMD Platform: Integrated Web Servers for the Preparation, Running, and Analysis of Coarse-Grained Molecular Dynamics Simulations

Molecules (Basel, Switzerland), 2020-12, Vol.25 (24), p.5934

2020

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GOMoDo: A GPCRs online modeling and docking webserver

PloS one, 2013-09, Vol.8 (9), p.e74092-e74092

2013

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Role of Extracellular Loops and Membrane Lipids for Ligand Recognition in the Neuronal Adenosine Receptor Type 2A: An Enhanced Sampling Simulation Study

Molecules (Basel, Switzerland), 2018-10, Vol.23 (10), p.2616

2018

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The Interplay of Cholesterol and Ligand Binding in hTSPO from Classical Molecular Dynamics Simulations

Molecules (Basel, Switzerland), 2021-03, Vol.26 (5), p.1250

2021

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Novel insights into the somatic proteome of Strongyloides stercoralis infective third-stage larvae

Parasites & vectors, 2023-01, Vol.16 (1), p.45-45, Article 45

2023

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Impact of Cholesterol on the Stability of Monomeric and Dimeric Forms of the Translocator Protein TSPO: A Molecular Simulation Study

Molecules (Basel, Switzerland), 2020-09, Vol.25 (18), p.4299

2020

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Hybrid molecular mechanics/coarse-grained simulations for structural prediction of G-protein coupled receptor/ligand complexes

PloS one, 2012-10, Vol.7 (10), p.e47332-e47332

2012

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Coevolutionary data-based interaction networks approach highlighting key residues across protein families: The case of the G-protein coupled receptors

Computational and structural biotechnology journal, 2020-01, Vol.18, p.1153-1159

2020

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All muscarinic acetylcholine receptors (M 1 -M 5 ) are expressed in murine brain microvascular endothelium

Scientific reports, 2017-07, Vol.7 (1), p.5083-15, Article 5083

2017

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Unifying view of mechanical and functional hotspots across class A GPCRs

PLoS computational biology, 2017-02, Vol.13 (2), p.e1005381-e1005381

2017

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Effects of interface mutations on the dimerization of alanine glyoxylate aminotransferase and implications in the mistargeting of the pathogenic variants F152I and I244T

Biochimie, 2016-12, Vol.131, p.137-148

2016

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Insights into the binding of Phenyltiocarbamide (PTC) agonist to its target human TAS2R38 bitter receptor

PloS one, 2010-08, Vol.5 (8), p.e12394

2010

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Structural Prediction of the Dimeric Form of the Mammalian Translocator Membrane Protein TSPO: A Key Target for Brain Diagnostics

International journal of molecular sciences, 2018-08, Vol.19 (9), p.2588

2018

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Residues in the Distal Heme Pocket of Arabidopsis Non-Symbiotic Hemoglobins: Implication for Nitrite Reductase Activity

International journal of molecular sciences, 2016-05, Vol.17 (5), p.640-640

2016

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Protons taken hostage: Dynamic H-bond networks of the pH-sensing GPR68

Computational and structural biotechnology journal, 2023-01, Vol.21, p.4370-4384

2023

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Wide Real-Life Data Support Reduced Sensitivity of Antigen Tests for Omicron SARS-CoV-2 Infections

Viruses, 2024-05, Vol.16 (5), p.657

2024

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A Novel ALAS2 Missense Mutation in Two Brothers With Iron Overload and Associated Alterations in Serum Hepcidin/Erythroferrone Levels

Frontiers in physiology, 2020-11, Vol.11, p.581386-581386

2020

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Genome-wide Membrane Protein Structure Prediction

Current genomics, 2013-08, Vol.14 (5), p.324-329

2013

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A Mechanistic Model of NMDA and AMPA Receptor-Mediated Synaptic Transmission in Individual Hippocampal CA3-CA1 Synapses: A Computational Multiscale Approach

Multiscale simulations on human Frizzled and Taste2 GPCRs

Predicting ligand binding poses for low-resolution membrane protein models: Perspectives from multiscale simulations

Coarse-grained/molecular mechanics of the TAS2R38 bitter taste receptor: experimentally-validated detailed structural prediction of agonist binding

Structure-function relationships of the disease-linked A218T oxytocin receptor variant

Low Molecular Weight Inhibitors Targeting the RNA-Binding Protein HuR

CGMD Platform: Integrated Web Servers for the Preparation, Running, and Analysis of Coarse-Grained Molecular Dynamics Simulations

GOMoDo: A GPCRs online modeling and docking webserver

Role of Extracellular Loops and Membrane Lipids for Ligand Recognition in the Neuronal Adenosine Receptor Type 2A: An Enhanced Sampling Simulation Study

The Interplay of Cholesterol and Ligand Binding in hTSPO from Classical Molecular Dynamics Simulations

Novel insights into the somatic proteome of Strongyloides stercoralis infective third-stage larvae

Impact of Cholesterol on the Stability of Monomeric and Dimeric Forms of the Translocator Protein TSPO: A Molecular Simulation Study

Hybrid molecular mechanics/coarse-grained simulations for structural prediction of G-protein coupled receptor/ligand complexes

Coevolutionary data-based interaction networks approach highlighting key residues across protein families: The case of the G-protein coupled receptors

All muscarinic acetylcholine receptors (M 1 -M 5 ) are expressed in murine brain microvascular endothelium

Unifying view of mechanical and functional hotspots across class A GPCRs

Effects of interface mutations on the dimerization of alanine glyoxylate aminotransferase and implications in the mistargeting of the pathogenic variants F152I and I244T

Genetic and Clinical Heterogeneity in Thirteen New Cases with Aceruloplasminemia. Atypical Anemia as a Clue for an Early Diagnosis

Insights into the binding of Phenyltiocarbamide (PTC) agonist to its target human TAS2R38 bitter receptor

Structural Prediction of the Dimeric Form of the Mammalian Translocator Membrane Protein TSPO: A Key Target for Brain Diagnostics

Residues in the Distal Heme Pocket of Arabidopsis Non-Symbiotic Hemoglobins: Implication for Nitrite Reductase Activity

Protons taken hostage: Dynamic H-bond networks of the pH-sensing GPR68

Wide Real-Life Data Support Reduced Sensitivity of Antigen Tests for Omicron SARS-CoV-2 Infections

A Novel ALAS2 Missense Mutation in Two Brothers With Iron Overload and Associated Alterations in Serum Hepcidin/Erythroferrone Levels

Genome-wide Membrane Protein Structure Prediction

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