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J
John Z. H. Zhang
NYU Shanghai
62
H指数
371
论文数
1.5W
被引数
0
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157
发表时间
发表时间
IF
被引数
Predicting Nirmatrelvir Resistance in SARS-CoV-2 Mpro Mutants with an Integrated Computational Framework
预测SARS-CoV-2 Mpro突变体中奈玛特韦耐药性的集成计算框架
The Journal of Physical Chemistry B
IF
2.9
2026-07-03
0
PRE
AI
Fanyu Zhao; Wei Xia; Yuzhi Xu; Xue Wu; Shiyu Hu; John Z. H. Zhang
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Recent Advances in Computer-Aided Drug Design and Drug Discovery
计算机辅助药物设计与药物发现的研究进展
Molecules
IF
4.6
2026-05-11
0
OA
AI
John Z. H. Zhang
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GMFCC-UMA: A Fragment-Based Machine Learning Framework for Scalable Ab Initio-Quality Protein Energies
GMFCC-UMA:一种基于片段的机器学习框架,用于可扩展的从头计算质量蛋白质能量
Journal of Chemical Theory and Computation
IF
5.5
2026-05-01
0
PRE
AI
Wan-sheng Ren; Jin Xiao; Yingfeng Zhang; Tong Zhu; John Z. H. Zhang
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SAKE-PP: A Spatial-Attention Equivariant Network for Accurate Ranking of Protein–Protein Interaction Models
SAKE-PP: 一种用于精确排序蛋白质-蛋白质相互作用模型的空间注意力等变网络
JACS Au
IF
8.7
2026-04-16
0
OA
AI
Yuzhi Xu; Wei Xia; Chao Zhang; Xinxin Liu; Cheng-Wei Ju; Xuhang Dai; Pujun Xie; Yuanqing Wang; Guangyong Chen; John Z.H. Zhang
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Comparative binding mechanisms of SND1 with MTDH and small-molecule inhibitors: Insights from molecular dynamics simulation and free energy calculation
SND1与MTDH和小分子抑制剂的比较结合机制:来自分子动力学模拟和自由能计算的研究洞察
phys. chem. chem. phys.
IF
0
2026-04-06
0
PRE
AI
Xi Zhu; Jiarui Chang; Min Fang; Xingyu Wu; ZhiXiang Yin; John Z.H. Zhang; Fenghua Qi; Tong Zhu; Ya Gao
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Revealing the limits of covalent docking and advancing affinity prediction with covalent-aware multi-task learning
phys. chem. chem. phys.
IF
0
2026-02-05
0
PRE
AI
Jiayang Leng †; Zhixuan Huang †; Lei Zheng †; Yuhan Yang; Huilin Huang; Yongjun Gao; Lizhen Huo; Yang Li; Zhaoxi Sun; John Z. H. Zhang
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Accurate and Efficient Calculation of Protein–Ligand Interaction Energies Using an Electrostatically Embedded Fragmentation Method
Journal of Chemical Theory and Computation
IF
5.5
2026-01-26
0
PRE
AI
Yingfeng Zhang; Wei Xia; Kaifang Huang; Jin Xiao; John Z. H. Zhang
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Conserved-Potential-Driven Molecular Dynamics Deciphers Formose Reaction Mechanisms
JACS Au
IF
8.7
2026-01-22
0
OA
AI
Hei Wun Kan; Xiao-Tian Li; Tong Zhu; Yuzhi Xu; John Zeng Hui Zhang
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A kinetic gatekeeper: TCR-pMHC dissociation dynamics determine T cell activation efficacy
一个动力学门控器:TCR-pMHC解离动力学决定T细胞活化效率
Protein Science
IF
5.2
2025-10-18
0
PRE
AI
Mingchen Yan; Jian Wang; John Z. H. Zhang
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Significantly enhancing human antibody affinity via deep learning and computational biology-guided single-point mutations
通过深度学习和计算生物学指导的单点突变显著增强人抗体亲和力
Briefings in Bioinformatics
IF
7.7
2025-09-01
0
OA
AI
Junxin Li; Chao Zhang; Wei Xia; Hei Wun Kan; Kaifang Huang; Sai Li; Mark Akinola Ige; Qiuliyang Yu; Jiawei Zhao; Xiaochun Wan; John Z H Zhang; Haiping Zhang
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Computational design of IL-37b variants to disrupt dimerization and enhance monomer stability
IL-37b变体计算设计:破坏二聚化和增强单体稳定性
International Journal of Biological Macromolecules
IF
8.5
2025-07-28
0
PRE
AI
Shiyu Hu; Fanyu Zhao; Jian Wang; John Z.H. Zhang
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Discovery of Novel Cytochrome bd Oxidase Inhibitors against Mycobacterium tuberculosis
新型细胞色素bd氧化酶抑制剂的发现及其对结核分枝杆菌的作用
European Journal of Medicinal Chemistry
IF
5.9
2025-07-26
0
PRE
AI
Xue Wu; Xu Zhang; Wei Xia; Yu Zhang; Kaifang Huang; Fanyu Zhao; Changge Ji; Jian Wang; Bing Zhou; John.Z.H. Zhang
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Exploring Optimized Organic Fluorophore Search through Experimental Data-Driven Adaptive β-VAE
基于实验数据驱动的自适应β-VAE探索优化有机荧光团搜索
JACS Au
IF
8.7
2025-06-30
0
OA
AI
Yuzhi Xu; Yongrui Luo; Bo Li; Weikang Jiang; Jinyu Zhang; Jiangbo Wei; Hanzhi Bai; Zhiqiang Wang; Jiankai Ge; Ruiming Lin; Zehan Mi; Haozhe Zhang; Yifeng Tang; Michael S. Jones; Xiaotian Li; John Z.H. Zhang; Cheng-Wei Ju
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Molecular glue-augmented E2-ubiquitin recognition from a computational approach
通过计算方法进行分子胶增强的E2-ubiquitin识别
INTERNATIONAL JOURNAL OF BIOLOGICAL MACROMOLECULES
IF
8.5
2025-05-01
0
PRE
AI
Muhammad, Danial; Xia, Wei; Wang, Musheng; Sun, Zhaoxi; Zhang, John Z. H.
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Transition State Searching Accelerated by Neural Network Potential
JOURNAL OF CHEMICAL INFORMATION AND MODELING
IF
5.3
2025-02-20
0
PRE
AI
Li, Bowen; Xiao, Jin; Gao, Ya; Zhang, John Z. H.; Zhu, Tong
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Toward Quantum Chemical Accuracy in Absolute Protein-Ligand Binding Free Energy Calculation via Quantum Fragment Method
JOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF
5.5
2025-02-11
0
PRE
AI
Zhang, Yingfeng; Xia, Wei; Xiao, Jin; Zhang, John Z. H.
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Optimization of nanobody caplacizumab via computational design
通过计算设计优化纳米抗体caplacizumab
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
IF
2.9
2025-01-01
0
PRE
AI
Huang, Juping; He, Yu; Gan, Zhenjia; Wang, Jian; Zhang, John Z. H.
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Vaping/e-cigarette-induced pulmonary extracellular vesicles contribute to exacerbated cardiomyocyte impairment through the translocation of ERK5
LIFE SCIENCES
IF
5.1
2024-12-01
0
OA
AI
Liu, Caihong; Zhang, Yanwei; Zhao, Jianli; Zhang, John; Meng, Zhijun; Yang, Yuhui; Xie, Yaoli; Jiao, Xiangying; Liang, Bin; Cao, Jimin; Wang, Yajing
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Discovery of New Synthetic Routes of Amino Acids in Prebiotic Chemistry
JACS AU
IF
8.7
2024-11-18
0
OA
AI
Li, Xiao-Tian; Mi, Sixuan; Xu, Yuzhi; Li, Bo-Wen; Zhu, Tong; Zhang, John Z. H.
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ChemXTree: A Feature-Enhanced Graph Neural Network-Neural Decision Tree Framework for ADMET Prediction
JOURNAL OF CHEMICAL INFORMATION AND MODELING
IF
5.3
2024-11-05
0
OA
AI
Xu, Yuzhi; Liu, Xinxin; Xia, Wei; Ge, Jiankai; Ju, Cheng-Wei; Zhang, Haiping; Zhang, John Z. H.
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研究方向
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合作学者
合作期刊
K
K. N. Houk
H 指数: 157 · 论文数: 2.6K
陈威
(Wei Chen)
H 指数: 124 · 论文数: 1.5K
J
Joel M. Bowman
H 指数: 89 · 论文数: 728
Y
Yi Pan
H 指数: 83 · 论文数: 907
J
Jiali Gao
H 指数: 82 · 论文数: 429
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