نتایج جستجو برای: receptor modeling
تعداد نتایج: 971098 فیلتر نتایج به سال:
Several nonpeptide small molecules were designed as potential inhibitors of HIV protease and their structures were constructed by computer-aided molecular modeling and docked iwo the active site of HIV protease. Models of the complexes of inhibitors and the HIV protease were refined using nonbonded and H-bonding terms. The refined energy of selected complexes showed that the designed inhib...
Background: Breast cancer is the most common cancer in women, containing approximately one third of all illnesses in women. Assessment of molecular markers is valuable in predicting the outcome of disease and decision making for optimal treatment. The purpose of this study was to determine the relationship between estrogen and progesterone receptors with Her-2, Ki67, P53, and clinicopathologica...
Proteochemometric modeling (PCM) is a computational approach that can be considered an extension of quantitative structure-activity relationship (QSAR) modeling, where a single model incorporates information for a family of targets and all the associated ligands instead of modeling activity versus one target. This is especially useful for situations where bioactivity data exists for similar pro...
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