End-Point Binding Free Energy Calculation with MM/PBSA and MM/GBSA: Strategies and Applications in Drug Design
Wang, Ercheng, Sun, Huiyong, Wang, Junmei, Wang, Zhe, Liu, Hui, Zhang, John Z. H, Hou, Tingjun
Published in Chemical reviews (28.08.2019)
Published in Chemical reviews (28.08.2019)
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Complex reaction processes in combustion unraveled by neural network-based molecular dynamics simulation
Zeng, Jinzhe, Cao, Liqun, Xu, Mingyuan, Zhu, Tong, Zhang, John Z. H.
Published in Nature communications (11.11.2020)
Published in Nature communications (11.11.2020)
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DeepDDG: Predicting the Stability Change of Protein Point Mutations Using Neural Networks
Cao, Huali, Wang, Jingxue, He, Liping, Qi, Yifei, Zhang, John Z
Published in Journal of chemical information and modeling (22.04.2019)
Published in Journal of chemical information and modeling (22.04.2019)
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Journal Article
An accurate free energy estimator: based on MM/PBSA combined with interaction entropy for protein-ligand binding affinity
Huang, Kaifang, Luo, Song, Cong, Yalong, Zhong, Susu, Zhang, John Z. H, Duan, Lili
Published in Nanoscale (21.05.2020)
Published in Nanoscale (21.05.2020)
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DeepBSPa Machine Learning Method for Accurate Prediction of Protein–Ligand Docking Structures
Bao, Jingxiao, He, Xiao, Zhang, John Z. H
Published in Journal of chemical information and modeling (24.05.2021)
Published in Journal of chemical information and modeling (24.05.2021)
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HergSPred: Accurate Classification of hERG Blockers/Nonblockers with Machine-Learning Models
Zhang, Xudong, Mao, Jun, Wei, Min, Qi, Yifei, Zhang, John Z. H
Published in Journal of chemical information and modeling (25.04.2022)
Published in Journal of chemical information and modeling (25.04.2022)
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Fragment Quantum Mechanical Calculation of Proteins and Its Applications
He, Xiao, Zhu, Tong, Wang, Xianwei, Liu, Jinfeng, Zhang, John Z. H
Published in Accounts of chemical research (16.09.2014)
Published in Accounts of chemical research (16.09.2014)
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Anchor-Locker Binding Mechanism of the Coronavirus Spike Protein to Human ACE2: Insights from Computational Analysis
Cong, Yalong, Feng, Yinghui, Ni, Hui, Zhi, Fengdong, Miao, Yulu, Fang, Bohuan, Zhang, Lujia, Zhang, John Z. H
Published in Journal of chemical information and modeling (26.07.2021)
Published in Journal of chemical information and modeling (26.07.2021)
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A Comparative Insight into Amprenavir Resistance of Mutations V32I, G48V, I50V, I54V, and I84V in HIV‑1 Protease Based on Thermodynamic Integration and MM-PBSA Methods
Chen, Jianzhong, Wang, Xingyu, Zhu, Tong, Zhang, Qinggang, Zhang, John Z. H
Published in Journal of chemical information and modeling (28.09.2015)
Published in Journal of chemical information and modeling (28.09.2015)
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Successive Open Innovation Contests and Incentives: Winner‐Take‐All or Multiple Prizes?
Hofstetter, Reto, Zhang, John Z., Herrmann, Andreas
Published in The Journal of product innovation management (01.07.2018)
Published in The Journal of product innovation management (01.07.2018)
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Molecular Dynamics Simulation of Zinc Ion in Water with an ab Initio Based Neural Network Potential
Xu, Mingyuan, Zhu, Tong, Zhang, John Z. H
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (01.08.2019)
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (01.08.2019)
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Crypto-marketing: how non-fungible tokens (NFTs) challenge traditional marketing
Hofstetter, Reto, de Bellis, Emanuel, Brandes, Leif, Clegg, Melanie, Lamberton, Cait, Reibstein, David, Rohlfsen, Felicia, Schmitt, Bernd, Zhang, John Z.
Published in Marketing letters (01.12.2022)
Published in Marketing letters (01.12.2022)
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