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MPS-Ascend: Elucidating the Design Rules of Green Fluorescent Protein

MPS-Ascend：阐明绿色荧光蛋白的设计规则

基本信息

批准号：
2213324
负责人：
Pablo Unzueta
金额：
$ 30万
依托单位：
Unzueta, Pablo Andres
依托单位国家：
美国
项目类别：
Fellowship Award
财政年份：
2022
资助国家：
美国
起止时间：
2022-06-15 至 2025-05-31
项目状态：
未结题

来源：
https://www.nsf.gov/awardsearch/showAward?AWD_ID=2213324&HistoricalAwards=false
关键词：
MPS Ascend Elucidating Design Rules

项目摘要

This award is funded in whole or in part under the American Rescue Plan Act of 2021 (Public Law 117-2). Pablo Unzueta is awarded a NSF Mathematical and Physical Sciences Ascending Postdoctoral Research Fellowship (NSF MPS-Ascend) to conduct a program of research and activities related to broaden participation by groups underrepresented in STEM. This fellowship to Dr. Uzueta supports the research project entitled " MPS-Ascend: Elucidating the Design Rules of Green Fluorescent Protein", under the mentorship of a sponsoring scientist. The host institution for the fellowship is Stanford University, and the sponsoring scientist is Dr. Todd Martinez. The proposed work intends to use Quantum Mechanical/Molecular Modeling ab initio molecular dynamics to study the green fluorescent protein (GFP) chromophore in the protein pocket. A collaborative approach between experiment, theory and machine learning (ML) has the potential to provide novel insights into GFP. Finally, ML will be used to construct a generative model which uses refined theoretical and experimental data with a focus on human interpretability and physical/chemical intuition upon model interrogation. Successful implementation of the proposed work will result in the creation of a smartphone app that provides voice-controlled quantum chemistry, 2-D structure recognition and interactive 3-D models. A postdoc mentoring network for historically excluded persons will also be constructed that recognizes promising early undergraduates from local colleges to aid them along academic and professional tracks.This award reflects NSF's statutory mission and has been deemed worthy of support through evaluation using the Foundation's intellectual merit and broader impacts review criteria.

该奖项全部或部分由《2021年美国救援计划法案》（公法117-2）资助。Pablo Unzueta被授予NSF数学和物理科学提升博士后研究奖学金（NSF MPS-Ascend），以开展与扩大STEM中代表性不足的群体参与相关的研究和活动计划。Uzueta博士获得的这项奖学金支持了一项名为“MPS-Ascend：阐明绿色荧光蛋白的设计规则”的研究项目，该项目由一名赞助科学家指导。该奖学金的主办机构是斯坦福大学，赞助科学家是托德·马丁内斯博士。本研究拟采用量子力学/分子建模从头算分子动力学方法研究蛋白质口袋中的绿色荧光蛋白（GFP）发色团。实验、理论和机器学习（ML）之间的协作方法有可能为GFP提供新的见解。最后，机器学习将用于构建生成模型，该模型使用精炼的理论和实验数据，重点关注人类可解释性和模型询问时的物理/化学直觉。这项工作的成功实施将导致智能手机应用程序的创建，该应用程序提供语音控制的量子化学、二维结构识别和交互式三维模型。此外，还将为历史上被排除在外的人建立一个博士后指导网络，从地方大学中甄别有前途的早期本科生，帮助他们走上学术和职业道路。该奖项反映了美国国家科学基金会的法定使命，并通过使用基金会的知识价值和更广泛的影响审查标准进行评估，被认为值得支持。