机译:加速虚拟高通量配体对接:petascale超级计算机的当前技术和案例研究
enome Science and Technology, University of Tennessee, Center for Molecular Biophysics, Oak Ridge National Laboratory, Knoxville, TN, USA;
Lombardi Comprehensive Cancer Center, Georgetown University Medical Center, Washington, DC, USA;
Lombardi Comprehensive Cancer Center, Georgetown University Medical Center, Washington, DC, USA;
Biochemistry and Cellular and Molecular Biology, University of Tennessee, Center for Molecular Biophysics, Oak Ridge National Laboratory, Knoxville, TN, USA;
Biochemistry and Cellular and Molecular Biology, University of Tennessee, Center for Molecular Biophysics, Oak Ridge National Laboratory, Knoxville, TN, USA;
virtual high-throughput screening; automated molecular docking; drug discovery; highperformance computing;
机译:通过基于药效团的高通量虚拟筛选和对接发现β_2-肾上腺素受体的高亲和力配体
机译:通过基于药效团的高通量虚拟筛选和对接发现β_2-肾上腺素受体的高亲和力配体
机译:通过基于Phara_2-肾上腺素能受体的高亲和力配体发现高亲和力配体通过药物的高通量虚拟筛选和对接
机译:基于配体的药理学模型,虚拟筛选和分子对接研究,发现针对葡萄球菌感染的新型抑制剂。
机译:1alpha,25-dihydroxyvitamin D3激动剂和组蛋白脱乙酰基酶抑制剂双功能配体的发现虚拟对接,合成,基于荧光偏振的筛选和分子动力学模拟。
机译:加速虚拟高通量配体对接:petascale超级计算机的当前技术和案例研究
机译:超级计算机对接:对蛋白质 - 配体复合物低能量最小值的研究