نتایج جستجو برای: qsar molecular docking

تعداد نتایج: 645530  

Journal: :Journal of Chemistry 2021

Chagas is a neglected tropical disease caused by the parasite Trypanosoma cruzi with no effective treatment in all its forms. There need to find more therapeutic alternatives reduced toxicity. In this contribution, multiple linear regression models were used identify molecular descriptors that best describe inhibitory activity of 52 fenarimol analogues against cruzi. The topological, physicoche...

Journal: :Drug discovery today 2006
Werner J Geldenhuys Kevin E Gaasch Mark Watson David D Allen Cornelis J Van der Schyf

Drug discovery is a time consuming and costly process. Recently, a trend towards the use of in silico computational chemistry and molecular modeling for computer-aided drug design has gained significant momentum. This review investigates the application of free and/or open-source software in the drug discovery process. Among the reviewed software programs are applications programmed in JAVA, Pe...

نمودار تعداد نتایج جستجو در هر سال

با کلیک روی نمودار نتایج را به سال انتشار فیلتر کنید