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MeSH:( Molecular Docking Simulation)

1.Identification of New Potential APE1 Inhibitors by Pharmacophore Modeling and Molecular Docking.

In Won LEE ; Jonghwan YOON ; Gunhee LEE ; Minho LEE

Genomics & Informatics 2017;15(4):147-155

2.Elucidation of the Inhibitory Effect of Phytochemicals with Kir6.2 Wild-Type and Mutant Models Associated in Type-1 Diabetes through Molecular Docking Approach.

Manaswini JAGADEB ; V Badireenath KONKIMALLA ; Surya Narayan RATH ; Rohit Pritam DAS

Genomics & Informatics 2014;12(4):283-288

3.Virtual screening study of cathepsin S natural inhibitor.

Yu GAO ; Jie SHEN ; Hai-Bo LIU

China Journal of Chinese Materia Medica 2019;44(6):1201-1207

4.In silico prediction of SARS-COV-2 epitopes for vaccine development

Kitz Paul D. Marco ; Julia Patricia B. Llagas ; Maria Teresa A. Barzaga ; Francisco III M. Heralde

Philippine Journal of Health Research and Development 2020;24(4):1-19

5.Detailed docking of "phospholipid" biological metabolizing pathway.

Zhiyin WU ; Zhenming LIU

Journal of Central South University(Medical Sciences) 2014;39(6):541-551

6.Virtual screen of effective AChE inhibitory constituents from Glycyrrhizae Radix et Rhizoma based on pharmacophore and molecular docking.

Guang-Xin LIU ; Ze-Feng ZHAO ; Jing XIE ; Jie SANG ; Ye-Fei LIANG ; Ming-Cheng QIAN ; Cui-Qin LI

China Journal of Chinese Materia Medica 2020;45(10):2431-2438

7.Potential molecular mechanism of Banxia Xiexin Decoction in treatment of colon cancer based on network pharmacology and molecular docking technology.

Yu-Ting LUO ; Long-Fei LIN ; Yu-Ling LIU ; Guo-Lin SHI ; Yan-Qiu WU ; An-Hui YANG ; Hui LI

China Journal of Chinese Materia Medica 2020;45(23):5753-5761

8.Computer-aided aptamers screening technologies: a review.

Bowen DENG ; Siyi GAO ; Boyi XIAO ; Yulong WU ; Hao SUN ; Lianghua WANG ; Mingjuan SUN

Chinese Journal of Biotechnology 2022;38(2):678-690

9.Discovery and confirmation of protein action site AK1 of ginsenosides in brain based on DARTS technology.

Fei-Yan CHEN ; Wei QIN ; Rui-Mei LI ; Yao CHENG ; Zhu ZHU ; Lin CHEN ; Yu-Nan ZHAO

China Journal of Chinese Materia Medica 2022;47(5):1336-1342

10.Computational chemistry in structure-based drug design.

Ran CAO ; Wei LI ; Han-Zi SUN ; Yu ZHOU ; Niu HUANG

Acta Pharmaceutica Sinica 2013;48(7):1041-1052

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