| Amber 2023 DA Case, HM Aktulga, K Belfon, IY Ben-Shalom, JT Berryman, SR Brozell, ... University of California, San Francisco, 2023 | 5938 | 2023 |
| AmberTools DA Case, HM Aktulga, K Belfon, DS Cerutti, GA Cisneros, VWD Cruzeiro, ... Journal of chemical information and modeling 63 (20), 6183-6191, 2023 | 660 | 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 | 76 | 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 | 73 | 2022 |
| 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 | 30 | 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 | 30 | 2017 |
| 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 | 22 | 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 | 19 | 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 |
| 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 | 15 | 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 (1), 6151587, 2019 | 15 | 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 | 14 | 2020 |
| 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 |
| 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 | 11 | 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 | 10 | 2018 |
| Machine learning-guided adaptive parametrization for coupling terms in a mixed united-atom/coarse-grained model for diphenylalanine self-assembly in aqueous ionic liquids Y Ge, X Wang, Q Zhu, Y Yang, H Dong, J Ma Journal of Chemical Theory and Computation 19 (19), 6718-6732, 2023 | 9 | 2023 |
| 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 | 9 | 2022 |
| Single-molecule sensing inside stereo-and regio-defined hetero-nanopores W Liu, Q Zhu, CN Yang, YH Fu, JC Zhang, MY Li, ZL Yang, KL Xin, J Ma, ... Nature Nanotechnology, 1-9, 2024 | 8 | 2024 |
| 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 | 7 | 2022 |
| 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 |
Hao DongNanjing UniversityVerified email at nju.edu.cn
