نتایج جستجو برای: virtual screening

تعداد نتایج: 370631  

Journal: :Journal of Computer-Aided Molecular Design 2008
Paul C. D. Hawkins Gregory L. Warren A. Geoffrey Skillman Anthony Nicholls

The recent literature is replete with papers evaluating computational tools (often those operating on 3D structures) for their performance in a certain set of tasks. Most commonly these papers compare a number of docking tools for their performance in cognate re-docking (pose prediction) and/or virtual screening. Related papers have been published on ligand-based tools: pose prediction by confo...

2012
Fengbo Wu Ting Xu Gu He Liang Ouyang Bo Han Cheng Peng Xiangrong Song Mingli Xiang

Focal adhesion kinase (FAK) is a tyrosine kinase that functions as a key orchestrator of signals leading to invasion and metastasis. In the current study, the multicomplex-based pharmacophore (MCBP)-guided method has been suggested to generate a comprehensive pharmacophore of FAK kinase based on seven crystal structures of FAK-inhibitor complexes. In this investigation, a hybrid protocol of vir...

Journal: :Journal of Computer-Aided Molecular Design 2016

Journal: :Revista Virtual de Química 2012

Journal: :Journal of Grid Computing 2007

Journal: :Future Medicinal Chemistry 2018

Journal: :Briefings in Functional Genomics and Proteomics 2002

Journal: :مطالعات مدیریت صنعتی 0
حسین رحمان سرشت استاد مدیریت استراتژیک و نظریه های سازمانی/ عضو هیئت علمی دانشگاه علامه طباطبایی professor of organization theories and strategic management faculty member of allame tabatabaee university

iran’s industry has had a considerable number of difficulties to perform so well as was expected in the post – revolutionary era. unfavorable legal, political environments combined with eight –year imposed war may be singled out as the root causes of such performances. however, this paper argues that our industry’s lack of realization of its dire need to adapt to the emerging unprecedented envi...

Journal: :Methods 2015
Hongying Du Jeffrey R Brender Jian Zhang Yang Zhang

Structure based virtual screening has largely been limited to protein targets for which either an experimental structure is available or a strongly homologous template exists so that a high-resolution model can be constructed. The performance of state of the art protein structure predictions in virtual screening in systems where only weakly homologous templates are available is largely untested...

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