Presentations

Oral Presentations at Conferences/Workshops

Handyman Work on vdW Interactions/Robust Determination of Most Probable Transition Path
CHARMM meeting
July 20th, 2024, Baltimore, MD, USA
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
Computation and Artificial Intelligence in Drug Discovery
The 2023 Annual Meeting of Hangzhou Pharmaceutical Association
Dec. 16th, 2023, Hangzhou, China
Towards Structure-based AI Drug Design
The 2023 Fourth Quarter Seminar of National Center for Protein Sciences - Beijing
Dec. 13th, 2023, Beijing, China
What We Talk About When We Talk About Structure
The 2023 Workshop on the Statistical Mechanics of Complex Systems
Nov. 26th, 2023, Guangzhou, China
Simplified Structure-based Molecular Generation
The 2nd Chinese Conference on BT/IT
Sep. 3rd, 2023, Suzhou, China
Simplified Structure-based Molecular Generation
CHARMM meeting
July 23rd, 2023, Ann Arbor, MI, USA
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
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
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
Structure-Dynamics-Function Relationship of Human Solute Carrier Proteins
The 7th Chinese National Conference on Biological Physical Chemistry (NCBPC7)
Aug. 20th, 2022, Changchun, China
Efficient Utilization of Structural Information in CADD and AIDD
2022 AI for Science Summit
Aug. 9th, 2022, online meeting
Efficient Utilization of Structural Information in Computer-Aided Drug Design
ACS Spring 2022
Mar. 22nd, 2022, San Diego, CA, USA
Understanding the Transport Mechanism of Solute Carrier Proteins with Atomistic Simulations
Pacifichem 2021
Dec. 16th, 2021, online meeting
Molecular Mechanics Force Fields
2021 Summer School on Active Soft Matter
July 25th, 2021, Hangzhou, China
Computational Modeling of Solute Carrier Proteins
The 7th National Conference on Computational Biology and Bioinformatics
July 16th, 2021, Yantai, China
Molecular Dynamics Simulations of Transporters
East Zhejiang Workshop on Biophysics
July 4th, 2021, Ningbo, China
Benchmarking and Improving Force Field Parameters of Ions with Salting-out Coefficient
Workshop on the Mechanism of Ion Channels
June 19th, 2021, Beijing, China
Modeling and Simulation of Solute Carrier Proteins
The 10th International Conference on Molecular Simulations and Artificial Intelligence Application
May. 30th, 2021, Suzhou, China
Computational Models and Simulation Algorithms for Biological Macromolecules
The 1st Chinese Conference on BT/IT
May 10th, 2021, Suzhou, China
Modeling and Simulation of Solute Carrier Proteins
The 32nd Chinese Chemical Society (CCS) Congress
Apr. 22nd, 2021, Zhuhai, China
Scrutinizing the Interactions between Sodium Ion and Amino Acids in Force Fields
ACS Spring 2021
Apr. 15th, 2021, online meeting
Atomistic Simulation of Sodium-coupled Solute Transport
The 1st Greater Bay Area Biophysics and new Drug Discovery Forum
Apr. 11th, 2021, Zhuhai, China
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
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
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
Drude Polarizable Protein Force Fields: Development and Applications
The 15th National Conference on Computer Chemistry of China
Nov. 16th, 2019, Shanghai, China
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
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
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
Modeling the Cooperativity in Protein Structures and Dynamics
The 2019 Conference on Bioinformatics in Jiangsu and Zhejiang Provinces
Apr. 20th, 2019, Wuxi, China
The MPID polarizable force fields
The 2018 Workshop on the Statistical Mechanics of Complex Systems
Dec. 9th, 2018, Hefei, China
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
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
Conformational Sampling of Proteins with the Fully Polarizable Drude Force Field
ACS 254th National Meeting
Aug. 23rd, 2017, Washington, DC, USA
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
Improved Conformational Sampling of Intrinsically Disordered Proteins with Advanced Protein Force Field
47th Mid-Atlantic Molecular Crystallography Meeting
June 8th, 2017, Baltimore, MD, USA
Improved Conformational Sampling of Intrinsically Disordered Proteins with the Modified CHARMM36 Protein Force Field
ACS 252nd National Meeting
Aug. 23rd, 2016, Philadelphia, PA, USA
Dispersion PME
CHARMM meeting
July 8th, 2016, Ann Arbor, MI, USA
Cooperative Helix Formation of (AAQAA)₃ Obtained with the Drude Polarizable Force Field
1st Regional Computational Biophysics Symposium
June 13th, 2014, Rockville, MD, USA
Efficient Computational Methods for Transition Metal Complexes: Computational Characterization of a Hydrogen-Bonded Bidentate Catalyst
25th Molecular Modelling Workshop
Apr. 5th, 2011, Erlangen, German
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

Understanding Membrane Transport with Simulations
LCB seminar, NIH/NHLBI
July 22nd, 2024, Bethesda, MD, USA
Structure-based AI Drug Design
439th Wuya Forum, Shenyang Pharmaceutical University
June 5th, 2024, Shenyang, China
Journey Through Force Fields: Triumphs, Tribulations, and Insights
Huayuan Forum, School of Chemistry and Chemical Engineering, Liaoning Normal University
Apr. 17th, 2024, Dalian, China
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
Towards Structure-based AI Drug Design
Institute of Synthetic Biology, CAS Shenzhen Institute of Advanced Technology
July 17th, 2023, Shenzhen, China
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
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
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
Improving the Accuracy of Molecular Simulations with Better Force Field Models
Beijing Institute of Big Data Research, Peking University
Jan. 6th, 2019, Beijing, China
Improving the Accuracy of Molecular Simulations with Better Force Fields
Beijing Computational Science Research Center
Apr. 24th, 2018, Beijing, China
Improving the Accuracy of Molecular Simulations with Better Force Fields
Department of Chemistry, Beijing Normal University
Apr. 23rd, 2018, Beijing, China
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
Polarizable Force Fields: Why and How?
School of Pharmacy, Zhejiang University
Apr. 3rd, 2018, Hangzhou, China
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
Hydrogen Bond Dynamics of Ubiquitin under Elevated Pressure
LCB seminar, NIH/NHLBI
Feb. 1st, 2018, Bethesda, MD, USA
Polarizable Force Fields: Why and How?
XtalPi Inc.
Dec. 28th, 2017, Shenzhen, China
Improving the Accuracy of Molecular Modeling and Simulation
Department of Chemistry and Biochemistry, Florida Atlantic University
Sep. 2rd, 2016, Boca Raton, FL, USA