Qiang Zhu

发表

Entropy and Polarity Control the Partition and Transportation of Drug-like Molecules in Biological Membrane

F. Wang, Hongwei Chen, Hao Dong, 2017, Scientific Reports.

A Data‐Driven Accelerated Sampling Method for Searching Functional States of Proteins

Hao Dong, Jing Ma, Qiang Zhu, 2019, Advanced Theory and Simulations.

Synergistic steric pairing effects of terfluorenes with ternary side groups on β-conformation transition: experiments and computations

Linghai Xie, Wei Huang, Jing Ma, 2018 .

Tuning the collective switching behavior of azobenzene/Au hybrid materials: flexible versus rigid azobenzene backbones and Au(111) surfaces versus curved Au nanoparticles.

Yan Zhu, Ziqi Tian, Qiang Zhu, 2017, Nanoscale.

Fast Prediction of Lipophilicity of Organofluorine Molecules: Deep Learning-Derived Polarity Characters and Experimental Tests

Ziyi Cui, Ziteng Liu, Qiang Zhu, 2022, J. Chem. Inf. Model..

Machine learning assisted prediction of charge transfer properties in organic solar cells by using morphology-related descriptors

Hai-bo Ma, Lifeng Zheng, Jing Ma, 2022, Nano Research.

Preparation and Characterization of Iron Oxide Low-Dimensional Nanomaterials

Qiang Zhu, Lin Zhou, Yisi Feng, 2022, Integrated Ferroelectrics.

On-Demand Electrical Switching of Antibody-Antigen Binding on Surfaces.

T. Watson, J. Preece, P. Mendes, 2018, ACS applied bio materials.

Identification of Single-Molecule Catecholamine Enantiomers Using a Programmable Nanopore.

Hongyuan Chen, Shuo Huang, Jing Ma, 2022, ACS nano.

Treating Polarization Effects in Charged and Polar Bio-Molecules Through Variable Electrostatic Parameters.

Wei Li, Qiang Zhu, Jing-Jing Ma, 2023, Journal of chemical theory and computation.

Surface Stability and Morphology of Calcium Phosphate Tuned by pH Values and Lactic Acid Additives: Theoretical and Experimental Study.

Xuefeng Guo, J. Liu, Xiangfeng Li, 2022, ACS applied materials & interfaces.

Tuning Coordination Modes and Nucleation of Calcium Phosphate with Oligomeric Lactic Acid and pH Values: Theoretical and Experimental Study

Xuefeng Guo, Jianjun Liu, Ming Ma, 2021 .

Direct Extracellular Electron Transfer of the Geobacter sulfurreducens Pili Relevant to Interaromatic Distances

Xiao Sun, Hai-bo Ma, Ke Xiao, 2019, BioMed research international.

Polarization Effects on the Cellulose Dissolution in Ionic Liquids: Molecular Dynamics Simulations with Polarization Model and Integrated Tempering Enhanced Sampling Method.

Lijiang Yang, B. Jin, Jing Ma, 2017, The journal of physical chemistry. B.

Shear viscosity prediction of alcohols, hydrocarbons, halogenated, carbonyl, nitrogen-containing, and sulfur compounds using the variable force fields.

T. Gaudin, Jing Ma, Qiang Zhu, 2021, The Journal of chemical physics.

A Two-ended DAta-Driven Accelerated Sampling Method for Exploring the Transition Pathways between Two Known States of Protein.

Jing Ma, Qiang Zhu, Yigao Yuan, 2020, Journal of chemical theory and computation.

Towards High-Performance Aqueous Zinc Batteries via a Semi-Conductive Bipolar-Type Polymer Cathode.

Jing Ma, Qiang Zhu, Jie Shu, 2022, Angewandte Chemie.

Batch-Scale Synthesis of Nanoparticle-Agminated Three-Dimensional Porous Cu@Cu2O Microspheres for Highly Selective Electrocatalysis of Nitrate to Ammonia.

Jianxun Cui, Zuoxiu Tie, Zhong Jin, 2022, Environmental science & technology.

An Electrostatic-variable Coarse-grained Model for Predicting Enthalpy of Vaporization, Surface Tension, Diffusivity, Conductivity, and Dielectric Constant of Aqueous Ionic Liquid

Hao Dong, Jing Ma, Qiang Zhu, 2021, Journal of Molecular Liquids.

Planar Chirality for Acid/Base Responsive Macrocyclic Pillararenes Induced by Amino Acid Derivatives: Molecular Dynamics Simulations and Machine Learning.

Jing Ma, Lulu Fu, Qiang Zhu, 2023, Journal of Chemical Theory and Computation.

Machine Learning-Guided Adaptive Parametrization for Coupling Terms in a Mixed United-Atom/Coarse-Grained Model for Diphenylalanine Self-Assembly in Aqueous Ionic Liquids.

Huihui Dong, Jing Ma, Qiang Zhu, 2023, Journal of chemical theory and computation.