Area of research
Molecular Biology · Cellular and Molecular Neuroscience
Research interest
Research interests include Computer science, Computational biology, Statistical physics, Dynamics (music), G protein-coupled receptor, and Molecular dynamics.
Hidden GPCR structural transitions addressed by multiple walker supervised molecular dynamics (mwSuMD)
Author response: Hidden GPCR structural transitions addressed by multiple walker supervised molecular dynamics (mwSuMD)
Hidden GPCR structural transitions addressed by multiple walker supervised molecular dynamics (mwSuMD)
Author response: Hidden GPCR structural transitions addressed by multiple walker supervised molecular dynamics (mwSuMD)
Hidden GPCR structural transitions addressed by multiple walker supervised molecular dynamics (mwSuMD)
Hidden GPCR structural transitions addressed by multiple walker supervised molecular dynamics (mwSuMD)
Hidden GPCR structural transitions addressed by multiple walker supervised molecular dynamics (mwSuMD)
Author response: Hidden GPCR structural transitions addressed by multiple walker supervised molecular dynamics (mwSuMD)
GWAS of random glucose in 476,326 individuals provide insights into diabetes pathophysiology, complications and treatment stratification
Hidden GPCR structural transitions addressed by multiple walker supervised molecular dynamics (mwSuMD)
Random glucose GWAS in 493,036 individuals provides insights into diabetes pathophysiology, complications and treatment stratification
Activation of the GLP-1 receptor by a non-peptidic agonist
Structure and Dynamics of Adrenomedullin Receptors AM<sub>1</sub> and AM<sub>2</sub> Reveal Key Mechanisms in the Control of Receptor Phenotype by Receptor Activity-Modifying Proteins
A Supervised Molecular Dynamics Approach to Unbiased Ligand–Protein Unbinding
A2A and A2B adenosine receptors: The extracellular loop 2 determines high (A2A) or low affinity (A2B) for adenosine
Cryo-EM structure of the active, Gs-protein complexed, human CGRP receptor
AquaMMapS: An Alternative Tool to Monitor the Role of Water Molecules During Protein–Ligand Association
Comparison of the Human A<sub>2A</sub> Adenosine Receptor Recognition by Adenosine and Inosine: New Insight from Supervised Molecular Dynamics Simulations
Deciphering the Complexity of Ligand–Protein Recognition Pathways Using Supervised Molecular Dynamics (SuMD) Simulations
Understanding allosteric interactions in G protein-coupled receptors using Supervised Molecular Dynamics: A prototype study analysing the human A3 adenosine receptor positive allosteric modulator LUF6000
Exploring the recognition pathway at the human A<sub>2A</sub> adenosine receptor of the endogenous agonist adenosine using supervised molecular dynamics simulations