| AmberTools DA Case, HM Aktulga, K Belfon, DS Cerutti, GA Cisneros, VWD Cruzeiro, ... Journal of chemical information and modeling 63 (20), 6183-6191, 2023 | 124 | 2023 |
| Batch-Scale Synthesis of Nanoparticle-Agminated Three-Dimensional Porous Cu@Cu2O Microspheres for Highly Selective Electrocatalysis of Nitrate to Ammonia M Jiang, Q Zhu, X Song, Y Gu, P Zhang, C Li, J Cui, J Ma, Z Tie, Z Jin Environmental Science & Technology 56 (14), 10299-10307, 2022 | 44 | 2022 |
| Towards High‐Performance Aqueous Zinc Batteries via a Semi‐Conductive Bipolar‐Type Polymer Cathode L Yan, Q Zhu, Y Qi, J Xu, Y Peng, J Shu, J Ma, Y Wang Angewandte Chemie International Edition 61 (42), e202211107, 2022 | 43 | 2022 |
| Entropy and polarity control the partition and transportation of drug-like molecules in biological membrane Q Zhu, Y Lu, X He, T Liu, H Chen, F Wang, D Zheng, H Dong, J Ma Scientific reports 7 (1), 17749, 2017 | 25 | 2017 |
| Identification of single-molecule catecholamine enantiomers using a programmable nanopore W Jia, C Hu, Y Wang, Y Liu, L Wang, S Zhang, Q Zhu, Y Gu, P Zhang, ... ACS nano 16 (4), 6615-6624, 2022 | 21 | 2022 |
| Surface stability and morphology of calcium phosphate tuned by pH values and lactic acid additives: theoretical and experimental study H Chen, C Lv, L Guo, M Ma, X Li, Z Lan, J Huo, H Dong, X Zhu, Q Zhu, ... ACS Applied Materials & Interfaces 14 (4), 4836-4851, 2022 | 16 | 2022 |
| Polarization effects on the cellulose dissolution in ionic liquids: Molecular dynamics simulations with polarization model and integrated tempering enhanced sampling method Z Kan, Q Zhu, L Yang, Z Huang, B Jin, J Ma The Journal of Physical Chemistry B 121 (17), 4319-4332, 2017 | 16 | 2017 |
| Tuning the collective switching behavior of azobenzene/Au hybrid materials: flexible versus rigid azobenzene backbones and Au (111) surfaces versus curved Au nanoparticles C Liu, D Zheng, W Hu, Q Zhu, Z Tian, J Zhao, Y Zhu, J Ma Nanoscale 9 (43), 16700-16710, 2017 | 13 | 2017 |
| Fast prediction of lipophilicity of organofluorine molecules: deep learning-derived polarity characters and experimental tests Q Jia, Y Ni, Z Liu, X Gu, Z Cui, M Fan, Q Zhu, Y Wang, J Ma Journal of Chemical Information and Modeling 62 (20), 4928-4936, 2022 | 12 | 2022 |
| Nitrogen reduction reaction energy and pathways in metal-zeolites: deep learning and explainable machine learning with local acidity and hydrogen bonding features Y Gu, Q Zhu, Z Liu, C Fu, J Wu, Q Zhu, Q Jia, J Ma Journal of Materials Chemistry A 10 (28), 14976-14988, 2022 | 12 | 2022 |
| Direct Extracellular Electron Transfer of the Geobacter sulfurreducens Pili Relevant to Interaromatic Distances C Shu, Q Zhu, K Xiao, Y Hou, H Ma, J Ma, X Sun BioMed research international 2019, 2019 | 12 | 2019 |
| A two-ended data-driven accelerated sampling method for exploring the transition pathways between two known states of protein Y Yuan, Q Zhu, R Song, J Ma, H Dong Journal of Chemical Theory and Computation 16 (7), 4631-4640, 2020 | 10 | 2020 |
| Machine learning assisted prediction of charge transfer properties in organic solar cells by using morphology-related descriptors L Fu, H Hu, Q Zhu, L Zheng, Y Gu, Y Wen, H Ma, H Yin, J Ma Nano Research 16 (2), 3588-3596, 2023 | 9 | 2023 |
| On-Demand Electrical Switching of Antibody–Antigen Binding on Surfaces B Santos Gomes, E Cantini, S Tommasone, JS Gibson, X Wang, Q Zhu, ... ACS Applied Bio Materials 1 (3), 738-747, 2018 | 9 | 2018 |
| Shear viscosity prediction of alcohols, hydrocarbons, halogenated, carbonyl, nitrogen-containing, and sulfur compounds using the variable force fields Q Zhu, Y Gu, L Hu, T Gaudin, M Fan, J Ma The Journal of Chemical Physics 154 (7), 2021 | 7 | 2021 |
| Synergistic steric pairing effects of terfluorenes with ternary side groups on β-conformation transition: experiments and computations XA Yuan, MN Yu, Q Zhu, WW Zhang, LH Xie, W Huang, J Ma Journal of Materials Chemistry C 6 (6), 1551-1561, 2018 | 7 | 2018 |
| A Data‐Driven Accelerated Sampling Method for Searching Functional States of Proteins Q Zhu, Y Yuan, J Ma, H Dong Advanced Theory and Simulations 2 (4), 1800171, 2019 | 6 | 2019 |
| An electrostatic-variable coarse-grained model for predicting enthalpy of vaporization, surface tension, diffusivity, conductivity, and dielectric constant of aqueous ionic liquid Y Ge, Q Zhu, Y Li, H Dong, J Ma Journal of Molecular Liquids 346, 118230, 2022 | 5 | 2022 |
| Molecular Partition Coefficient from Machine Learning with Polarization and Entropy Embedded Atom-Centered Symmetry Functions Q Zhu, Q Jia, Z Liu, Y Ge, X Gu, Z Cui, M Fan, J Ma Physical Chemistry Chemical Physics, 23082-23088, 2022 | 4 | 2022 |
| Electrostatic Interactions of Water in External Electric Field: Molecular Dynamics Simulations Q Zhu, Z KAN, J Ma Journal of Electrochemistry 23 (4), 4, 2017 | 4 | 2017 |
Hao DongNanjing UniversityVerified email at nju.edu.cn
