3D QSAR Pharmacophore Modeling, in Silico Screening, and Density Functional Theory (DFT) Approaches for Identification of Human Chymase Inhibitors

By Arooj Mahreen   Thangapandian Sundarapandian   John Shalini   Hwang Swan   Park Jong Keun   Lee Keun Woo  

International Journal of Molecular Sciences, Vol. 12, Iss. 12, 2011-12 ,pp. : 9236-9264

MDPI

Access to resources Recommend Favorite

A Thoroughly Validated Virtual Screening Strategy for Discovery of Novel HDAC3 Inhibitors

By Hu Huabin   Xia Jie   Wang Dongmei   Wang Xiang Simon   Wu Song  

International Journal of Molecular Sciences, Vol. 18, Iss. 1, 2017-01 ,pp. : 137-137

MDPI

Access to resources Recommend Favorite

Novel Natural Inhibitors of CYP1A2 Identified by in Silico and in Vitro Screening

By Zhu Ruixin   Hu Liwei   Li Haiyun   Su Juan   Cao Zhiwei   Zhang Weidong  

International Journal of Molecular Sciences, Vol. 12, Iss. 5, 2011-05 ,pp. : 3250-3262

MDPI

Access to resources Recommend Favorite

In Silico Identification of Structure Requirement for Novel Thiazole and Oxazole Derivatives as Potent Fructose 1,6-Bisphosphatase Inhibitors

By Hao Ming   Zhang Xiaole   Ren Hong   Li Yan   Zhang Shuwei   Luo Fang   Ji Mingjuan   Li Guohui   Yang Ling  

International Journal of Molecular Sciences, Vol. 12, Iss. 11, 2011-11 ,pp. : 8161-8180

MDPI

Access to resources Recommend Favorite

Identification of Novel Potential β-N-Acetyl-D-Hexosaminidase Inhibitors by Virtual Screening, Molecular Dynamics Simulation and MM-PBSA Calculations

By Liu Jianling   Liu Mengmeng   Yao Yao   Wang Jinan   Li Yan   Li Guohui   Wang Yonghua  

International Journal of Molecular Sciences, Vol. 13, Iss. 4, 2012-04 ,pp. : 4545-4563

MDPI

Access to resources Recommend Favorite