Citations (20)
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Oriol Gracia Carmona & Chris Oostenbrink. (2023) Flexible Gaussian Accelerated Molecular Dynamics to Enhance Biological Sampling. Journal of Chemical Theory and Computation.
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Rafael Eduardo Oliveira Rocha, Diego César Batista Mariano, Tiago Silva Almeida, Leon Sulfierry CorrêaCosta, Pedro Henrique Camargo Fischer, Lucianna Helene Santos, Ernesto Raul Caffarena, Carlos Henrique da Silveira, Leonida M. Lamp, Monica Lisa Fernandez‐Quintero, Klaus Roman Liedl, Raquel Cardoso de Melo‐Minardi & Leonardo Henrique França de Lima. (2022)
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Marcus Conrad, Christian A. Söldner, Yinglong Miao & Heinrich Sticht. (2020) Agonist Binding and G Protein Coupling in Histamine H2 Receptor: A Molecular Dynamics Study. International Journal of Molecular Sciences 21:18, pages 6693.
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Xiaoli An, Qifeng Bai, Zhitong Bing, Hongli Liu, Qianqian Zhang, Huanxiang Liu & Xiaojun Yao. (2020) Revealing the Positive Binding Cooperativity Mechanism between the Orthosteric and the Allosteric Antagonists of CCR2 by Metadynamics and Gaussian Accelerated Molecular Dynamics Simulations. ACS Chemical Neuroscience 11:4, pages 628-637.
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Miguel Ortiz-Flores, Andrés Portilla-Martínez, Cristian González-Ruiz, Francisco Villarreal, Eduardo Meaney, Nayelli Nájera & Guillermo Ceballos. (2020) Catechins modulate the activity of mu opioid receptor (μOR): An in silico approach. Informatics in Medicine Unlocked 20, pages 100431.
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Xiaoli An, Qifeng Bai, Zhitong Bing, Shuangyan Zhou, Danfeng Shi, Huanxiang Liu & Xiaojun Yao. (2018) How Does Agonist and Antagonist Binding Lead to Different Conformational Ensemble Equilibria of the κ-Opioid Receptor: Insight from Long-Time Gaussian Accelerated Molecular Dynamics Simulation. ACS Chemical Neuroscience 10:3, pages 1575-1584.
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