Professor | 戚逸飞 | 数字化转型顾问

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Name	戚逸飞
Contact Information	yfqi@fudan.edu.cn
Language ability	中文, 英语
Province	上海

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Name

戚逸飞

Contact Information

yfqi@fudan.edu.cn

Language ability

中文, 英语

Province

上海

University/Lab Affiliation and Title	复旦大学
Faculty	Pharmaceutical Sciences
Academic Background & Achievements	2002-2006 理学学士: 北京大学物理学院 2006-2012 理学博士: 北京大学定量生物学中心在谷歌学术上发表了60余篇科研论文，总引用次数超过8000次
Work Experience	2012-2016 - 堪萨斯大学 - 博士后 2016-2021 - 华东师范大学化学与分子工程学院 - 副研究员 2021-今 - 复旦大学药学院药物化学系 - 副研究员
Awards	2018-2020 国家自然科学基金青年科学基金 - 主持 2019-2022 上海市科委自然科学基金探索类项目 - 主持

University/Lab Affiliation and Title

复旦大学

Faculty

Pharmaceutical Sciences

Academic Background & Achievements

2002-2006 理学学士: 北京大学物理学院
2006-2012 理学博士: 北京大学定量生物学中心
在谷歌学术上发表了60余篇科研论文，总引用次数超过8000次

Work Experience

2012-2016 - 堪萨斯大学 - 博士后
2016-2021 - 华东师范大学化学与分子工程学院 - 副研究员
2021-今 - 复旦大学药学院药物化学系 - 副研究员

Awards

2018-2020 国家自然科学基金青年科学基金 - 主持
2019-2022 上海市科委自然科学基金探索类项目 - 主持

Areas of Focus	人工智能蛋白质和小分子药物设计生物大分子结构和功能模拟
Publications	Insights into Small Molecule Inhibitor Bindings to PD-L1 with Residue-Specific Binding Free Energy Calculation, Xia, W.; He, L.; Bao, J.; Qi, Y.; Zhang, J. Z. H., 2021 Computational Analysis of Residue-Specific Binding Free Energies of Androgen Receptor to Ligands, Shao, G.; Bao, J.; Pan, X.; He, X.; Qi, Y.; Zhang, J. Z. H., 2021 Binding Modes of Small‐Molecule Inhibitors to the EED Pocket of PRC2, Huang, D.; Tian, S.; Qi, Y.; Zhang, J. Z. H., 2020 Molecular Mechanism of Selective Binding of NMS-P118 to PARP-1 and PARP-2: A Computational Perspective, Wang, R.; Cong, Y.; Li, M.; Bao, J.; Qi, Y.; Zhang, J. Z. H., 2020 CHARMM‐GUI DEER Facilitator for Spin‐pair Distance Distribution Calculations and Preparation of Restrained‐ensemble Molecular Dynamics Simulations, Qi, Y.; Lee, J.; Cheng, X.; Shen, R.; Islam, S. M.; Roux, B.; Im, W., 2020 Computational Approaches to Studying Methylated H4K20 Recognition by DNA Repair Factor 53BP1, Li, Z.; Bao, J.; Qi, Y.; Zhang, J. Z. H., 2020 DenseCPD: Improving the Accuracy of Neural-Network-Based Computational Protein Sequence Design with DenseNet, Qi, Y.; Zhang, J. Z. H., 2020 Study of SHMT2 Inhibitors and Their Binding Mechanism by Computational Alanine Scanning, He, L.; Bao, J.; Yang, Y.; Dong, S.; Zhang, L.; Qi, Y.; Zhang, J. Z. H., 2019 DeepDDG: Predicting the Stability Change of Protein Point Mutations Using Neural Networks, Cao, H.; Wang, J.; He, L.; Qi, Y.; Zhang, J. Z., 2019 CHARMM-GUI Nanodisc Builder for Modeling and Simulation of Various Nanodisc Systems, Qi, Y.; Lee, J.; Klauda, J. B.; Im, W., 2019 Computational Protein Design with Deep Learning Neural Networks, Wang, J.; Cao, H.; Zhang, J. Z. H.; Qi, Y., 2018 CHARMM-GUI MDFF/XMDFF Utilizer for Molecular Dynamics Flexible Fitting Simulations in Various Environments, Qi, Y.; Lee, J.; Singharoy, A.; McGreevy, R.; Schulten, K.; Im, W., 2017 CHARMM-GUI Martini Maker for Modeling and Simulation of Complex Bacterial Membranes with Lipopolysaccharides, Hsu, P.-C.; Bruininks, B. M. H.; Jefferies, D.; Cesar Telles de Souza, P.; Lee, J.; Patel, D. S.; Marrink, S. J.; Qi, Y.; Khalid, S.; Im, W., 2017 Effects of Spin-Labels on Membrane Burial Depth of MARCKS-ED Residues, Qi, Y.; Klauda, J. B.; Im, W., 2016 CHARMM-GUI Martini Maker for Coarse-Grained Simulations with the Martini Force Field, Qi, Y.; Ingólfsson, H. I.; Cheng, X.; Lee, J.; Marrink, S. J.; Im, W., 2015 CHARMM-Gui Pace Cg Builder for Solution, Micelle, Bilayer and Vesicle Simulations, Qi, Y.; Cheng, X.; Han, W.; Jo, S.; Roux, B.; Schulten, K.; Im, W., 2015 Roles of Glycans in Interactions between Gp120 and HIV Broadly Neutralizing Antibodies, Qi, Y.; Jo, S.; Im, W., 2015 CHARMM-GUI HMMM Builder for Membrane Simulations with the Highly Mobile Membrane-Mimetic Model, Qi, Y.; Cheng, X.; Lee, J.; Vermaas, J. V.; Pogorelov, T. V.; Tajkhorshid, E.; Park, S.; Klauda, J. B.; Im, W.

Areas of Focus

人工智能蛋白质和小分子药物设计
生物大分子结构和功能模拟

Publications

Insights into Small Molecule Inhibitor Bindings to PD-L1 with Residue-Specific Binding Free Energy Calculation, Xia, W.; He, L.; Bao, J.; Qi, Y.; Zhang, J. Z. H., 2021
Computational Analysis of Residue-Specific Binding Free Energies of Androgen Receptor to Ligands, Shao, G.; Bao, J.; Pan, X.; He, X.; Qi, Y.; Zhang, J. Z. H., 2021
Binding Modes of Small‐Molecule Inhibitors to the EED Pocket of PRC2, Huang, D.; Tian, S.; Qi, Y.; Zhang, J. Z. H., 2020
Molecular Mechanism of Selective Binding of NMS-P118 to PARP-1 and PARP-2: A Computational Perspective, Wang, R.; Cong, Y.; Li, M.; Bao, J.; Qi, Y.; Zhang, J. Z. H., 2020
CHARMM‐GUI DEER Facilitator for Spin‐pair Distance Distribution Calculations and Preparation of Restrained‐ensemble Molecular Dynamics Simulations, Qi, Y.; Lee, J.; Cheng, X.; Shen, R.; Islam, S. M.; Roux, B.; Im, W., 2020
Computational Approaches to Studying Methylated H4K20 Recognition by DNA Repair Factor 53BP1, Li, Z.; Bao, J.; Qi, Y.; Zhang, J. Z. H., 2020
DenseCPD: Improving the Accuracy of Neural-Network-Based Computational Protein Sequence Design with DenseNet, Qi, Y.; Zhang, J. Z. H., 2020
Study of SHMT2 Inhibitors and Their Binding Mechanism by Computational Alanine Scanning, He, L.; Bao, J.; Yang, Y.; Dong, S.; Zhang, L.; Qi, Y.; Zhang, J. Z. H., 2019
DeepDDG: Predicting the Stability Change of Protein Point Mutations Using Neural Networks, Cao, H.; Wang, J.; He, L.; Qi, Y.; Zhang, J. Z., 2019
CHARMM-GUI Nanodisc Builder for Modeling and Simulation of Various Nanodisc Systems, Qi, Y.; Lee, J.; Klauda, J. B.; Im, W., 2019
Computational Protein Design with Deep Learning Neural Networks, Wang, J.; Cao, H.; Zhang, J. Z. H.; Qi, Y., 2018
CHARMM-GUI MDFF/XMDFF Utilizer for Molecular Dynamics Flexible Fitting Simulations in Various Environments, Qi, Y.; Lee, J.; Singharoy, A.; McGreevy, R.; Schulten, K.; Im, W., 2017
CHARMM-GUI Martini Maker for Modeling and Simulation of Complex Bacterial Membranes with Lipopolysaccharides, Hsu, P.-C.; Bruininks, B. M. H.; Jefferies, D.; Cesar Telles de Souza, P.; Lee, J.; Patel, D. S.; Marrink, S. J.; Qi, Y.; Khalid, S.; Im, W., 2017
Effects of Spin-Labels on Membrane Burial Depth of MARCKS-ED Residues, Qi, Y.; Klauda, J. B.; Im, W., 2016
CHARMM-GUI Martini Maker for Coarse-Grained Simulations with the Martini Force Field, Qi, Y.; Ingólfsson, H. I.; Cheng, X.; Lee, J.; Marrink, S. J.; Im, W., 2015
CHARMM-Gui Pace Cg Builder for Solution, Micelle, Bilayer and Vesicle Simulations, Qi, Y.; Cheng, X.; Han, W.; Jo, S.; Roux, B.; Schulten, K.; Im, W., 2015
Roles of Glycans in Interactions between Gp120 and HIV Broadly Neutralizing Antibodies, Qi, Y.; Jo, S.; Im, W., 2015
CHARMM-GUI HMMM Builder for Membrane Simulations with the Highly Mobile Membrane-Mimetic Model, Qi, Y.; Cheng, X.; Lee, J.; Vermaas, J. V.; Pogorelov, T. V.; Tajkhorshid, E.; Park, S.; Klauda, J. B.; Im, W.

人工智能蛋白质设计小分子药物设计生物大分子模拟结构预测稳定性预测分子相互作用机器学习分子动力学

曾贤 - 复旦大学

盛荣 - 浙江大学

董晓武 - 浙江大学

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