- Mechanical stress and anionic lipids synergistically stabilize an atypical structure of the angiotensin II type 1 receptor (AT1)
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Research Article | published 13 Nov 2024 PLOS Computational Biology
- Evolutionary history of calcium-sensing receptors unveils hyper/hypocalcemia-causing mutations
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Research Article | published 12 Nov 2024 PLOS Computational Biology
- Tracking conformational transitions of the gonadotropin hormone receptors in a bilayer of (SDPC) poly-unsaturated lipids from all-atom molecular dynamics simulations
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Research Article | published 11 Jan 2024 PLOS Computational Biology
- Helix 8 in chemotactic receptors of the complement system
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Research Article | published 21 Jul 2022 PLOS Computational Biology
- Evolutionary information helps understand distinctive features of the angiotensin II receptors AT1 and AT2 in amniota
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Research Article | published 24 Feb 2022 PLOS Computational Biology
- Deciphering conformational selectivity in the A2A adenosine G protein-coupled receptor by free energy simulations
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Research Article | published 24 Nov 2021 PLOS Computational Biology
- Three-dimensional stochastic simulation of chemoattractant-mediated excitability in cells
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Research Article | published 14 Jul 2021 PLOS Computational Biology
- Conformational plasticity and dynamic interactions of the N-terminal domain of the chemokine receptor CXCR1
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Research Article | published 20 May 2021 PLOS Computational Biology
- Can molecular dynamics simulations improve the structural accuracy and virtual screening performance of GPCR models?
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Research Article | published 13 May 2021 PLOS Computational Biology
- In silico prediction of ARB resistance: A first step in creating personalized ARB therapy
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Research Article | published 25 Nov 2020 PLOS Computational Biology
- Improving homology modeling from low-sequence identity templates in Rosetta: A case study in GPCRs
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Research Article | published 28 Oct 2020 PLOS Computational Biology
- Insights into adenosine A2A receptor activation through cooperative modulation of agonist and allosteric lipid interactions
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Research Article | published 16 Apr 2020 PLOS Computational Biology
- Molecular mechanisms of fentanyl mediated β-arrestin biased signaling
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Research Article | published 10 Apr 2020 PLOS Computational Biology
- Performance of virtual screening against GPCR homology models: Impact of template selection and treatment of binding site plasticity
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Research Article | published 13 Mar 2020 PLOS Computational Biology
- Reduced level of docosahexaenoic acid shifts GPCR neuroreceptors to less ordered membrane regions
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Research Article | published 20 May 2019 PLOS Computational Biology
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