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ChemicalBook >> journal list>> Journal of Computational Chemistry
Journal of Computational Chemistry

Journal of Computational Chemistry

IF:4.8 CiteScore:6.6 Articles:247
This distinguished journal publishes articles concerned with all aspects of computational chemistry: analytical, biological, inorganic, organic, physical, and materials. The Journal of Computational Chemistry presents original research, contemporary developments in theory and methodology, and state-of-the-art applications. Computational areas that are featured in the journal include ab initio and semiempirical quantum mechanics, density functional theory, molecular mechanics, molecular dynamics, statistical mechanics, cheminformatics, biomolecular structure prediction, molecular design, and bioinformatics.

Development of a machine learning-based target-specific scoring function for structure-based binding affinity prediction for human dihydroorotate dehydrogenase inhibitors

Published: 26 September 2024 DOI: 10.1002/jcc.27510
Jinhui Meng, Li Zhang, Zhe He, Mengfeng Hu, Jinhan Liu, Wenzhuo Bao, Qifeng Tian, Huawei Feng, Hongsheng Liu
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