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G protein coupled receptors  
PLOS Computational Biology  
Mechanical stress and anionic lipids synergistically stabilize an atypical structure of the angiotensin II type 1 receptor (AT1)

Rym Ben Boubaker, Daniel Henrion, Marie Chabbert

Research Article | published 13 Nov 2024 PLOS Computational Biology

https://doi.org/10.1371/journal.pcbi.1012559

Views: 438Citations: 0Saves: 1 • Shares: 1

Evolutionary history of calcium-sensing receptors unveils hyper/hypocalcemia-causing mutations

Aylin Bircan, Nurdan Kuru, Onur Dereli, Berkay Selçuk, Ogün Adebali

Research Article | published 12 Nov 2024 PLOS Computational Biology

https://doi.org/10.1371/journal.pcbi.1012591

Views: 996Citations: 0Saves: 0 • Shares: 0

Tracking conformational transitions of the gonadotropin hormone receptors in a bilayer of (SDPC) poly-unsaturated lipids from all-atom molecular dynamics simulations

Eduardo Jardón-Valadez, Alfredo Ulloa-Aguirre

Research Article | published 11 Jan 2024 PLOS Computational Biology

https://doi.org/10.1371/journal.pcbi.1011415

Views: 989Citations: 2Saves: 0 • Shares: 0

Helix 8 in chemotactic receptors of the complement system

Szymon Wisniewski, Paulina Dragan, Anna Makal, Dorota Latek

Research Article | published 21 Jul 2022 PLOS Computational Biology

https://doi.org/10.1371/journal.pcbi.1009994

Views: 1574Citations: 0Saves: 4 • Shares: 2

Evolutionary information helps understand distinctive features of the angiotensin II receptors AT1 and AT2 in amniota

Rym Ben Boubaker, Asma Tiss, Daniel Henrion, Hajer Guissouma, Marie Chabbert

Research Article | published 24 Feb 2022 PLOS Computational Biology

https://doi.org/10.1371/journal.pcbi.1009732

Views: 1298Citations: 1Saves: 6 • Shares: 3

Deciphering conformational selectivity in the A2A adenosine G protein-coupled receptor by free energy simulations

Willem Jespers, Laura H. Heitman, Adriaan P. IJzerman, Eddy Sotelo, Gerard J. P. van Westen, Johan Åqvist, Hugo Gutiérrez-de-Terán

Research Article | published 24 Nov 2021 PLOS Computational Biology

https://doi.org/10.1371/journal.pcbi.1009152

Views: 2716Citations: 6Saves: 21 • Shares: 15

Three-dimensional stochastic simulation of chemoattractant-mediated excitability in cells

Debojyoti Biswas, Peter N. Devreotes, Pablo A. Iglesias

Research Article | published 14 Jul 2021 PLOS Computational Biology

https://doi.org/10.1371/journal.pcbi.1008803

Views: 2019Citations: 13Saves: 12 • Shares: 10

Conformational plasticity and dynamic interactions of the N-terminal domain of the chemokine receptor CXCR1

Shalmali Kharche, Manali Joshi, Amitabha Chattopadhyay, Durba Sengupta

Research Article | published 20 May 2021 PLOS Computational Biology

https://doi.org/10.1371/journal.pcbi.1008593

Views: 3281Citations: 19Saves: 18 • Shares: 16

Can molecular dynamics simulations improve the structural accuracy and virtual screening performance of GPCR models?

Jon Kapla, Ismael Rodríguez-Espigares, Flavio Ballante, Jana Selent, Jens Carlsson

Research Article | published 13 May 2021 PLOS Computational Biology

https://doi.org/10.1371/journal.pcbi.1008936

Views: 6093Citations: 24Saves: 68 • Shares: 13

In silico prediction of ARB resistance: A first step in creating personalized ARB therapy

Shane D. Anderson, Asna Tabassum, Jae Kyung Yeon, Garima Sharma, Priscilla Santos, Tik Hang Soong, Yin Win Thu, Isaac Nies, Tomomi Kurita, Andrew Chandler, Abdelaziz Alsamarah, Rhye-Samuel Kanassatega, Yun L. Luo, Wesley M. Botello-Smith, Bradley T. Andresen

Research Article | published 25 Nov 2020 PLOS Computational Biology

https://doi.org/10.1371/journal.pcbi.1007719

Views: 2419Citations: 5Saves: 9 • Shares: 4

Improving homology modeling from low-sequence identity templates in Rosetta: A case study in GPCRs

Brian Joseph Bender, Brennica Marlow, Jens Meiler

Research Article | published 28 Oct 2020 PLOS Computational Biology

https://doi.org/10.1371/journal.pcbi.1007597

Views: 5488Citations: 42Saves: 62 • Shares: 15

Insights into adenosine A2A receptor activation through cooperative modulation of agonist and allosteric lipid interactions

Agustín Bruzzese, James A. R. Dalton, Jesús Giraldo

Research Article | published 16 Apr 2020 PLOS Computational Biology

https://doi.org/10.1371/journal.pcbi.1007818

Views: 5887Citations: 24Saves: 62 • Shares: 6

Molecular mechanisms of fentanyl mediated β-arrestin biased signaling

Parker W. de Waal, Jingjing Shi, Erli You, Xiaoxi Wang, Karsten Melcher, Yi Jiang, H. Eric Xu, Bradley M. Dickson

Research Article | published 10 Apr 2020 PLOS Computational Biology

https://doi.org/10.1371/journal.pcbi.1007394

Views: 6593Citations: 46Saves: 57 • Shares: 6

Performance of virtual screening against GPCR homology models: Impact of template selection and treatment of binding site plasticity

Mariama Jaiteh, Ismael Rodríguez-Espigares, Jana Selent, Jens Carlsson

Research Article | published 13 Mar 2020 PLOS Computational Biology

https://doi.org/10.1371/journal.pcbi.1007680

Views: 5389Citations: 38Saves: 70 • Shares: 7

Reduced level of docosahexaenoic acid shifts GPCR neuroreceptors to less ordered membrane regions

Matti Javanainen, Giray Enkavi, Ramon Guixà-Gonzaléz, Waldemar Kulig, Hector Martinez-Seara, Ilya Levental, Ilpo Vattulainen

Research Article | published 20 May 2019 PLOS Computational Biology

https://doi.org/10.1371/journal.pcbi.1007033

Views: 4161Citations: 30Saves: 46 • Shares: 52

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