Curriculum Vitae – Prof. Dr. Lili Duan
Department: School of Physics and Electronics
Major: Atomic and Molecular Physics
Nationality: Chinese
Present Address
School of Physics and Electronics, Shandong Normal University, Jinan 250358, P. R. China
Email: pig5678@163.com; duanll@sdnu.edu.cn
Education and Working Experience
l School of Physics and Electronics, Shandong Normal University, Jinan 250358, P. R. China, professor and Ph.D. supervisor, 2018-Present
l School of Physics and Electronics, Shandong Normal University, Jinan 250358, P. R. China, associate professor and master supervisor, 2012-2017
l School of Physics and Electronics, Shandong Normal University, Jinan 250358, P. R. China, lecturer, 2010-2012
l Institute of Theoretical and Computational Chemistry, Nanjing University, visiting scholar, 2006-2010
Award and Honours
l 2020 The First Prize of Science and Technology Award for Higher Education Institution of Shandong Province (First finisher).
l 2018 The Excellent Young Academic Award of the First Physics Society of Shandong Province (Independent finisher).
l 2016 Excellent Youth Fund of Shandong Provincial Universities
l 2016 The First Prize of Science and Technology Award for Higher Education Institution of Shandong Province (Independent finisher).
l 2013 The First Prize of Excellent Scientific Research Achievement Award for Higher Education Institutions of Shandong Province (First finisher).
l 2011 Excellent Doctoral Thesis of Shandong Province.
Resume
Prof. Lili Duan, Ph.D. supervisor, was the recipient of "Excellent Youth Fund of Shandong Provincial Universities".
Her current research focus is the quantum chemistry calculation and molecular dynamics simulations for biomolecules, and published over 50 SCI papers including those in the internationally renowned journals J. Am. Chem. Soc., J. Phys. Chem. Lett., Phys. Chem. Chem. Phys., J. Chem. Phys., Nanoscale, Appl. Phys. Lett., etc. These scientific achievements have received wide attention from domestic and international peers, among which, two JACS published as the first author belong to the TOP journal in the field (IF=15.419). Current h-index is 18. Professor Duan has in charge of more than 10 national and provincial projects, including 4 National Natural Science Foundation of China.
Enrollment
Master's Admissions: Physics; Atomic and Molecular Physics
Doctoral Admissions: Physics; Atomic and Molecular Physics
Research Fields
l Mechanism and energy calculation of virus protein-drug interactions;
l Computational simulation for biomolecular structure and function;
l Quantum-theoretical computational for protein folding mechanism;
l Computer aided drug design
Scientific Research
l National Natural Science Foundation of China (11774207; 2018.01-2021.12), PI
l National Natural Science Foundation of China (11574184; 2016.01-2019.12), PI
l Excellent Youth Fund of Shandong Provincial Universities (ZR2016JL003; 2016.11-2019.11), PI
l Youth Fund Project of National Natural Science Foundation of China, PI
l Theoretical Physics Special Project of National Natural Science Foundation of China, PI
l China Postdoctoral Special Grant, PI
l Open Subject at the State Key Laboratory of Precision Spectroscopy of East China Normal University, PI
l Excellent Young and Middle-aged Scientists Award Fund of Shangdong Province, PI
Academic Achievements
More than 50 SCI papers have been published with total citations over 1000, including over 40 SCI papers with first/corresponding author.
Five representative papers are as follows
1. Lili Duan, Xiao Liu, and John Z. H. Zhang*, Interaction entropy: a new paradigm for highly efficient and reliable computation of protein−ligand binding free energy, Journal of the American Chemical Society 138, 5722-5728 (2016)
2. Lili Duan, Ye Mei, Dawei Zhang, Qinggang Zhang, and John Z. H. Zhang*, Folding of a helix at room temperature is critically aided by electrostatic polarization of intraprotein hydrogen bonds, Journal of the American Chemical Society 132,11159-11164 (2010)
3. Danyang Xiong, Xiaoyu Zhao, Song Luo, Yalong Cong, John Z. H. Zhang*, and Lili Duan*, Immune escape mechanisms of SARS-CoV-2 Delta and Omicron variants against two monoclonal antibodies that received emergency use authorization, Journal of Physical Chemistry Letters 13, 6064−6073 (2022)
4. Danyang Xiong, Xiaoyu Zhao, Song Luo, John Z. H. Zhang*, and Lili Duan*, Molecular mechanism of the non-covalent orally targeted SARS-CoV‑2 Mpro inhibitor S‑217622 and computational assessment of its effectiveness against mainstream variants, Journal of Physical Chemistry Letters 13, 8893−8901 (2022)
5. Danyang Xiong, Xiaoyu Zhao, Song Luo, and Lili Duan*, Insights from computational analysis: how does the SARS-CoV-2 Delta (B.1.617.2) variant hijack ACE2 more effectively?, Physical Chemistry Chemical Physics 24, 8683–8694 (2022)
