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Article Structure-based discovery of clinically approved drugs as Zika virus NS2B-NS3 protease inhibitors that potently inhibit Zika virus infection in vitro and in vivo Yuan, Shuofeng; Chan, Jasper Fuk-Woo; den-Haan, Helena; Chik, Kenn Ka-Heng; Zhang, Anna Jinxia; Chan, Chris Chung-Sing; Poon, Vincent Kwok-Man; Yip, Cyril Chik-Yan; Mak, Winger Wing-Nga; Zhu, Zheng; Zou, ZiJiao; Tee, Kah-Meng; Cai, Jian-Piao; Chan, Kwok-Hu ANTIVIRAL RESEARCH 0166-3542 (2017) DOI / 10.1016/j.antiviral.2017.07.007 OPEN ACCESS LEVEL /

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Article Combined Structure and Ligand-Based Design of Selective Acetylcholinesterase Inhibitors Perez-Sanchez, Horacio; den Haan, Helena; Perez-Garrido, Alfonso; Pena-Garcia, Jorge; Chakraborty, Sandipan; Orhan, Ilkay Erdogan; Deniz, Fatma Sezer Senol; Manuel Villalgordo, Jose JOURNAL OF CHEMICAL INFORMATION AND MODELING 1549-9596 (2021) DOI / 10.1021/acs.jcim.0c00463 OPEN ACCESS LEVEL /

Chemistry

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Article Evaluation of the Anti-Diabetic Activity of Some Common Herbs and Spices: Providing New Insights with Inverse Virtual Screening Pereira, Andreia S. P.; Banegas-Luna, Antonio J.; Pena-Garcia, Jorge; Perez-Sanchez, Horacio; Apostolides, Zeno MOLECULES (2019) DOI / 10.3390/molecules24224030 OPEN ACCESS LEVEL / Green published, Gold

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Computer Science

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Review Application advances of deep learning methods for de novo drug design and molecular dynamics simulation Bai, Qifeng; Liu, Shuo; Tian, Yanan; Xu, Tingyang; Banegas-Luna, Antonio Jesus; Perez-Sanchez, Horacio; Huang, Junzhou; Liu, Huanxiang; Yao, Xiaojun WILEY INTERDISCIPLINARY REVIEWS-COMPUTATIONAL MOLECULAR SCIENCE 1759-0876 (2021) DOI / 10.1002/wcms.1581 OPEN ACCESS LEVEL / Hybrid