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Jianing Lu
Jianing Lu
New York University
Chemistry
Artificial intelligence
Virtual screening
Combinatorial chemistry
Ligand
5
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55
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Dataset Construction to Explore Chemical Space with 3D Geometry and Deep Learning.
2021
Journal of Chemical Information and Modeling
Jianing Lu
Song Xia
Jieyu Lu
Yingkai Zhang
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Citations (1)
Incorporating Explicit Water Molecules and Ligand Conformation Stability in Machine-Learning Scoring Functions
2019
Journal of Chemical Information and Modeling
Jianing Lu
Xuben Hou
Cheng Wang
Yingkai Zhang
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Citations (29)
Exploring fragment-based target-specific ranking protocol with machine learning on cathepsin S
2019
Journal of Computer-aided Molecular Design
Yuwei Yang
Jianing Lu
Chao Yang
Yingkai Zhang
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Predicting Molecular Energy using Force-Field Optimized Geometries and Atomic Vector Representations Learned from Improved Deep Tensor Neural Network
2019
Journal of Chemical Theory and Computation
Jianing Lu
Cheng Wang
Yingkai Zhang
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Citations (16)
Computational Strategy for Bound State Structure Prediction in Structure-Based Virtual Screening: A Case Study of Protein Tyrosine Phosphatase Receptor Type O Inhibitors
2018
Journal of Chemical Information and Modeling
Xuben Hou
David Rooklin
Duxiao Yang
Xiao Liang
Kangshuai Li
Jianing Lu
Cheng Wang
Peng Xiao
Yingkai Zhang
Jin-Peng Sun
Hao Fang
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Citations (4)
1