Institute for Advanced Simulations IAS-5/Institute for Neuroscience and Medicine INM-9, Computational Biomedicine, Forschungszentrum Jülich GmbH, Jülich, Germany.
Medical Faculty, Cécile and Oskar Vogt Institute for Brain Research, University Hospital Düsseldorf, Heinrich Heine University Düsseldorf, Düsseldorf, Germany.
J Membr Biol. 2021 Aug;254(4):343-352. doi: 10.1007/s00232-021-00182-1. Epub 2021 Jun 25.
The Up-and-Coming-Scientist section of the current issue of the Journal of Membrane Biology features the invited essay by Dr. Mercedes Alfonso-Prieto, Assistant Professor at the Forschungszentrum Jülich (FZJ), Germany, and the Heinrich-Heine University Düsseldorf, Vogt Institute for Brain Research. Dr. Alfonso-Prieto completed her doctoral degree in chemistry at the Barcelona Science Park, Spain, in 2009, pursued post-doctoral research in computational molecular sciences at Temple University, USA, and then, as a Marie Curie post-doctoral fellow at the University of Barcelona, worked on computations of enzyme reactions and modeling of photoswitchable ligands targeting neuronal receptors. In 2016, she joined the Institute for Advanced Science and the Institute for Computational Biomedicine at the FZJ, where she pursues research on modeling and simulation of chemical senses. The invited essay by Dr. Alfonso-Prieto discusses state-of-the-art modeling of molecular receptors involved in chemical sensing - the senses of taste and smell. These receptors, and computational methods to study them, are the focus of Dr. Alfonso-Prieto's research. Recently, Dr. Alfonso-Prieto and colleagues have presented a new methodology to predict ligand binding poses for GPCRs, and extensive computations that deciphered the ligand selectivity determinants of bitter taste receptors. These developments inform our current understanding of how taste occurs at the molecular level.
本期《膜生物学杂志》的新锐科学家版块刊登了德国弗劳恩霍夫研究中心(FZJ)和杜塞尔多夫海因里希·海涅大学(Heinrich-Heine-Universität Düsseldorf)Vogt 脑研究所助理教授 Mercedes Alfonso-Prieto 博士的特邀论文。Alfonso-Prieto 博士于 2009 年在西班牙巴塞罗那科学园获得化学博士学位,在美国天普大学从事计算分子科学博士后研究,随后作为巴塞罗那大学的居里夫人博士后研究员,从事酶反应计算和针对神经元受体的光致开关配体建模工作。2016 年,她加入德国弗劳恩霍夫研究中心的先进科学研究所和计算生物医学研究所,从事化学感觉建模和模拟研究。Alfonso-Prieto 博士的特邀论文讨论了参与化学感觉的分子受体(味觉和嗅觉)的最新建模。这些受体及其研究它们的计算方法是 Alfonso-Prieto 博士研究的重点。最近,Alfonso-Prieto 博士及其同事提出了一种预测 GPCR 配体结合构象的新方法,并进行了广泛的计算,揭示了苦味受体配体选择性决定因素。这些进展为我们当前对味觉分子水平发生机制的理解提供了信息。