Zhang H - Search Results

1

Sigmoid Accelerated Molecular Dynamics: An Efficient Enhanced Sampling Method for Biosystems.

Zhao Y, Zhang J, Zhang H, Gu S, Deng Y, Tu Y, Hou T, Kang Y. Zhao Y, et al. Among authors: zhang j, zhang h. J Phys Chem Lett. 2023 Feb 2;14(4):1103-1112. doi: 10.1021/acs.jpclett.2c03688. Epub 2023 Jan 26. J Phys Chem Lett. 2023. PMID: 36700836

2

Quasiclassical Trajectory Simulation as a Protocol to Build Locally Accurate Machine Learning Potentials.

Zhang J, Zhang H, Qin Z, Kang Y, Hong X, Hou T. Zhang J, et al. Among authors: zhang h. J Chem Inf Model. 2023 Feb 27;63(4):1133-1142. doi: 10.1021/acs.jcim.2c01497. Epub 2023 Feb 15. J Chem Inf Model. 2023. PMID: 36791039

3

SDEGen: learning to evolve molecular conformations from thermodynamic noise for conformation generation.

Zhang H, Li S, Zhang J, Wang Z, Wang J, Jiang D, Bian Z, Zhang Y, Deng Y, Song J, Kang Y, Hou T. Zhang H, et al. Among authors: zhang j, zhang y. Chem Sci. 2023 Jan 12;14(6):1557-1568. doi: 10.1039/d2sc04429c. eCollection 2023 Feb 8. Chem Sci. 2023. PMID: 36794194 Free PMC article.

4

MetalProGNet: a structure-based deep graph model for metalloprotein-ligand interaction predictions.

Jiang D, Ye Z, Hsieh CY, Yang Z, Zhang X, Kang Y, Du H, Wu Z, Wang J, Zeng Y, Zhang H, Wang X, Wang M, Yao X, Zhang S, Wu J, Hou T. Jiang D, et al. Among authors: zhang s, zhang x, zhang h. Chem Sci. 2023 Jan 19;14(8):2054-2069. doi: 10.1039/d2sc06576b. eCollection 2023 Feb 22. Chem Sci. 2023. PMID: 36845922 Free PMC article.

5

FFLOM: A Flow-Based Autoregressive Model for Fragment-to-Lead Optimization.

Jin J, Wang D, Shi G, Bao J, Wang J, Zhang H, Pan P, Li D, Yao X, Liu H, Hou T, Kang Y. Jin J, et al. Among authors: zhang h. J Med Chem. 2023 Aug 10;66(15):10808-10823. doi: 10.1021/acs.jmedchem.3c01009. Epub 2023 Jul 20. J Med Chem. 2023. PMID: 37471134

6

How Good Are Current Docking Programs at Nucleic Acid-Ligand Docking? A Comprehensive Evaluation.

Jiang D, Zhao H, Du H, Deng Y, Wu Z, Wang J, Zeng Y, Zhang H, Wang X, Wu J, Hsieh CY, Hou T. Jiang D, et al. Among authors: zhang h. J Chem Theory Comput. 2023 Aug 22;19(16):5633-5647. doi: 10.1021/acs.jctc.3c00507. Epub 2023 Jul 22. J Chem Theory Comput. 2023. PMID: 37480347

7

On the Dynamic Mechanism of Long-Flexible Fatty Acid Binding to Fatty Acid Binding Protein: Resolving the Long-Standing Debate.

Chen H, Guo Y, Ye S, Zhang J, Zhang H, Liu N, Zhou R, Hou T, Xia H, Kang Y, Duan M. Chen H, et al. Among authors: zhang j, zhang h. J Chem Inf Model. 2023 Aug 28;63(16):5232-5243. doi: 10.1021/acs.jcim.3c00641. Epub 2023 Aug 13. J Chem Inf Model. 2023. PMID: 37574904

8

RediscMol: Benchmarking Molecular Generation Models in Biological Properties.

Weng G, Zhao H, Nie D, Zhang H, Liu L, Hou T, Kang Y. Weng G, et al. Among authors: zhang h. J Med Chem. 2024 Jan 25;67(2):1533-1543. doi: 10.1021/acs.jmedchem.3c02051. Epub 2024 Jan 5. J Med Chem. 2024. PMID: 38181194

9

Assessing the performance of MM/PBSA and MM/GBSA methods. 10. Prediction reliability of binding affinities and binding poses for RNA-ligand complexes.

Jiang D, Du H, Zhao H, Deng Y, Wu Z, Wang J, Zeng Y, Zhang H, Wang X, Wang E, Hou T, Hsieh CY. Jiang D, et al. Among authors: zhang h. Phys Chem Chem Phys. 2024 Mar 27;26(13):10323-10335. doi: 10.1039/d3cp04366e. Phys Chem Chem Phys. 2024. PMID: 38501198

10

Advancing Ligand Docking through Deep Learning: Challenges and Prospects in Virtual Screening.

Zhang X, Shen C, Zhang H, Kang Y, Hsieh CY, Hou T. Zhang X, et al. Among authors: zhang h. Acc Chem Res. 2024 May 21;57(10):1500-1509. doi: 10.1021/acs.accounts.4c00093. Epub 2024 Apr 5. Acc Chem Res. 2024. PMID: 38577892 Review.

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