Oral Presentations at Conferences/Workshops

  1. Atomistic Modeling and Simulation of Human Solute Carrier Proteins
    The 1st National Conference of Molecular Biophysics
    Nov. 12th, 2024, Hangzhou, China

  2. Identifying Most Probable Transition Path with Constant Advance Replicas
    The 2024 Frontier Symposium in Computational Chemistry, Biophysics, and Biological Sciences
    Nov. 10th, 2024, Seoul, Korea

  3. Identifying Most Probable Transition Path with Constant Advance Replicas
    The 2nd ACS Smart Materials & Engineering International Conference
    Oct. 19th, 2024, Dalian, China

  4. Identifying Most Probable Transition Path with Constant Advance Replicas
    The 11th Triennial Congress of the International Society for Theoretical Chemical Physics (ISTCP2024)
    Oct. 17th, 2024, Qingdao, China

  5. Locating Minimum Energy Path and Most Probable Transition Path with Constant Advance Replicas
    The 15th National Conference of Theoretical and Computational Chemistry
    Aug. 8th, 2024, Changchun, China

  6. Handyman Work on vdW Interactions/Robust Determination of Most Probable Transition Path
    CHARMM meeting
    July 20th, 2024, Baltimore, MD, USA

  7. DP/MM: a Hybrid Force Field Model for Zinc-Protein Dynamics
    Machine Learning in Chemical and Materials Sciences (MLCM) 2024
    May 23rd, 2024, online meeting

  8. Computation and Artificial Intelligence in Drug Discovery
    The 2023 Annual Meeting of Hangzhou Pharmaceutical Association
    Dec. 16th, 2023, Hangzhou, China

  9. Towards Structure-based AI Drug Design
    The 2023 Fourth Quarter Seminar of National Center for Protein Sciences - Beijing
    Dec. 13th, 2023, Beijing, China

  10. What We Talk About When We Talk About Structure
    The 2023 Workshop on the Statistical Mechanics of Complex Systems
    Nov. 26th, 2023, Guangzhou, China

  11. Simplified Structure-based Molecular Generation
    The 2nd Chinese Conference on BT/IT
    Sep. 3rd, 2023, Suzhou, China

  12. Simplified Structure-based Molecular Generation
    CHARMM meeting
    July 23rd, 2023, Ann Arbor, MI, USA

  13. Molecular Mechanism of Na+ -dependent Substrate Transport
    The 1st Chinese National Conference on Structure Prediction and Simulation of Biological Molecules
    June 17th, 2023, Hangzhou, China

  14. A Simple Way to Include Target Structure Information in Molecular Generative Models
    China Artificial Intelligence for Pharma R&D Conference (CAPR) 2023
    May 26th, 2023, Shanghai, China

  15. Dissecting the Conformational Dynamics of Membrane Proteins with Metadynamics
    The cryo-EM workshop of Key Laboratory of Structural Biology of Zhejiang Province
    Nov. 8th, 2022, Hangzhou, China

  16. Structure-Dynamics-Function Relationship of Human Solute Carrier Proteins
    The 7th Chinese National Conference on Biological Physical Chemistry (NCBPC7)
    Aug. 20th, 2022, Changchun, China

  17. Efficient Utilization of Structural Information in CADD and AIDD
    2022 AI for Science Summit
    Aug. 9th, 2022, online meeting

  18. Efficient Utilization of Structural Information in Computer-Aided Drug Design
    ACS Spring 2022
    Mar. 22nd, 2022, San Diego, CA, USA

  19. Understanding the Transport Mechanism of Solute Carrier Proteins with Atomistic Simulations
    Pacifichem 2021
    Dec. 16th, 2021, online meeting

  20. Molecular Mechanics Force Fields
    2021 Summer School on Active Soft Matter
    July 25th, 2021, Hangzhou, China

  21. Computational Modeling of Solute Carrier Proteins
    The 7th National Conference on Computational Biology and Bioinformatics
    July 16th, 2021, Yantai, China

  22. Molecular Dynamics Simulations of Transporters
    East Zhejiang Workshop on Biophysics
    July 4th, 2021, Ningbo, China

  23. Benchmarking and Improving Force Field Parameters of Ions with Salting-out Coefficient
    Workshop on the Mechanism of Ion Channels
    June 19th, 2021, Beijing, China

  24. Modeling and Simulation of Solute Carrier Proteins
    The 10th International Conference on Molecular Simulations and Artificial Intelligence Application
    May. 30th, 2021, Suzhou, China

  25. Computational Models and Simulation Algorithms for Biological Macromolecules
    The 1st Chinese Conference on BT/IT
    May 10th, 2021, Suzhou, China

  26. Modeling and Simulation of Solute Carrier Proteins
    The 32nd Chinese Chemical Society (CCS) Congress
    Apr. 22nd, 2021, Zhuhai, China

  27. Scrutinizing the Interactions between Sodium Ion and Amino Acids in Force Fields
    ACS Spring 2021
    Apr. 15th, 2021, online meeting

  28. Atomistic Simulation of Sodium-coupled Solute Transport
    The 1st Greater Bay Area Biophysics and new Drug Discovery Forum
    Apr. 11th, 2021, Zhuhai, China

  29. Towards More Accurate Computational Modeling of Ions in Proteins
    The 2020 Annual Meeting of Key Laboratory of Structural Biology of Zhejiang Province
    Dec. 18th, 2020, Hangzhou, China

  30. Improving Molecular Dynamics Simulations to Study the Assembly and Phase Separation of Disordered Proteins
    The 8th Winter Q-Bio Conference
    Feb. 20th, 2020, Waikoloa, HI, USA

  31. Structure, Dynamics and Self-assembly of Proteins on the Water/Air Interface
    The 11th Chinese National Conference on Chemical Biology
    Nov. 19th, 2019, Guangzhou, China

  32. Drude Polarizable Protein Force Fields: Development and Applications
    The 15th National Conference on Computer Chemistry of China
    Nov. 16th, 2019, Shanghai, China

  33. Improving the Accuracy of Molecular Simulations with the Drude Polarizable Force Fields
    The 5th World Zhejiang Entrepreneurs Convention “Digital Economy” International Youth Forum
    Nov. 14th, 2019, Hangzhou, China

  34. Proteins on Water/Air Interfaces: Insights from Simulations using Polarizable Force Fields
    The XXXI IUPAP Conference on Computational Physics (CCP2019)
    Jul. 29th, 2019, Hong Kong, China

  35. Proteins on Water/Air Interfaces: a comparative study using CHARMM additive and Drude polarizable force fields
    2nd Theoretical Chemistry Youth Scholar Meeting: Multiscale Simulations of Biological Systems
    May 26th, 2019, Xiamen, China

  36. Modeling the Cooperativity in Protein Structures and Dynamics
    The 2019 Conference on Bioinformatics in Jiangsu and Zhejiang Provinces
    Apr. 20th, 2019, Wuxi, China

  37. The MPID polarizable force fields
    The 2018 Workshop on the Statistical Mechanics of Complex Systems
    Dec. 9th, 2018, Hefei, China

  38. Improving the Accuracy of Physics-based Atomistic Models for Proteins
    The 1st Workshop on Structural Bioinformatics and I-TASSER Workshop 2018
    Nov. 25th, 2018, Hangzhou, China

  39. Capturing the Cooperativity of Backbone Hydrogen Bonding with Polarizable Force Fields
    The 2nd Worldwide Chinese Computational Biology and Molecular Simulation Conference
    June 10th, 2018, Guangzhou, China

  40. Conformational Sampling of Proteins with the Fully Polarizable Drude Force Field
    ACS 254th National Meeting
    Aug. 23rd, 2017, Washington, DC, USA

  41. Mapping the Drude Polarizable Force Field onto a Multipole and Induced Dipole (MPID) Model
    Second Regional Computational Biophysics Symposium
    June 23rd, 2017, Baltimore, MD, USA

  42. Improved Conformational Sampling of Intrinsically Disordered Proteins with Advanced Protein Force Field
    47th Mid-Atlantic Molecular Crystallography Meeting
    June 8th, 2017, Baltimore, MD, USA

  43. Improved Conformational Sampling of Intrinsically Disordered Proteins with the Modified CHARMM36 Protein Force Field
    ACS 252nd National Meeting
    Aug. 23rd, 2016, Philadelphia, PA, USA

  44. Dispersion PME
    CHARMM meeting
    July 8th, 2016, Ann Arbor, MI, USA

  45. Cooperative Helix Formation of (AAQAA)3 Obtained with the Drude Polarizable Force Field
    1st Regional Computational Biophysics Symposium
    June 13th, 2014, Rockville, MD, USA

  46. Efficient Computational Methods for Transition Metal Complexes: Computational Characterization of a Hydrogen-Bonded Bidentate Catalyst
    25th Molecular Modelling Workshop
    Apr. 5th, 2011, Erlangen, German

  47. Efficient Computational Methods for Transition Metal Complexes: Energetics and Dynamics of a Hydrogen-Bonded Bidentate Catalyst
    4th Workshop of the International Research Training Group “Catalysts and Catalytic Reactions for Organic Synthesis”
    June 10th, 2010, Basel, Switzerland

Invited Seminar Talks

  1. Understanding Membrane Transport with Simulations
    LCB seminar, NIH/NHLBI
    July 22nd, 2024, Bethesda, MD, USA

  2. Structure-based AI Drug Design
    439th Wuya Forum, Shenyang Pharmaceutical University
    June 5th, 2024, Shenyang, China

  3. Journey Through Force Fields: Triumphs, Tribulations, and Insights
    Huayuan Forum, School of Chemistry and Chemical Engineering, Liaoning Normal University
    Apr. 17th, 2024, Dalian, China

  4. Dissecting the Molecular Mechanisms of Solute Transport with an AI+Physics Approach
    School of Life Sciences, Southern University of Science and Technology
    July 18th, 2023, Shenzhen, China

  5. Towards Structure-based AI Drug Design
    Institute of Synthetic Biology, CAS Shenzhen Institute of Advanced Technology
    July 17th, 2023, Shenzhen, China

  6. Modeling and Simulation of Membrane Transporters: Implications for Better Force Field Models
    Institute of Systems and Physical Biology, Shenzhen Bay Laboratory
    Nov. 18th, 2021, Shenzhen, China

  7. Development and Applications of Drude Polarizable Protein Force Fields
    Department of Bioinformatics and Biostatistics, School of Life Sciences and Biotechnology, Shanghai Jiao Tong University
    Nov. 17th, 2019, Shanghai, China

  8. Improving the Accuracy of Molecular Simulations with Polarizable Force Fields
    INS Colloquia, Institute of Natural Sciences, Shanghai Jiao Tong University
    Apr. 23rd, 2019, Shanghai, China

  9. Improving the Accuracy of Molecular Simulations with Better Force Field Models
    Beijing Institute of Big Data Research, Peking University
    Jan. 6th, 2019, Beijing, China

  10. Improving the Accuracy of Molecular Simulations with Better Force Fields
    Beijing Computational Science Research Center
    Apr. 24th, 2018, Beijing, China

  11. Improving the Accuracy of Molecular Simulations with Better Force Fields
    Department of Chemistry, Beijing Normal University
    Apr. 23rd, 2018, Beijing, China

  12. Polarizable Force Fields: Why and How?
    Computational Chemistry Bi-Weekly Seminar, NYU-ECNU Center for Computational Chemistry at NYU Shanghai
    Apr. 11th, 2018, Shanghai, China

  13. Polarizable Force Fields: Why and How?
    School of Pharmacy, Zhejiang University
    Apr. 3rd, 2018, Hangzhou, China

  14. Improving the Accuracy of Molecular Simulations with Polarizable Force Fields
    Physical Chemistry Seminar, Department of Chemistry and Biochemistry, University of Oklahoma
    Feb. 9th, 2018, Norman, OK, USA

  15. Hydrogen Bond Dynamics of Ubiquitin under Elevated Pressure
    LCB seminar, NIH/NHLBI
    Feb. 1st, 2018, Bethesda, MD, USA

  16. Polarizable Force Fields: Why and How?
    XtalPi Inc.
    Dec. 28th, 2017, Shenzhen, China

  17. Improving the Accuracy of Molecular Modeling and Simulation
    Department of Chemistry and Biochemistry, Florida Atlantic University
    Sep. 2rd, 2016, Boca Raton, FL, USA