chains relax back to their original orientation (though nearer to the heme plane). Interestingly, nonmonotonic relaxation was previously observed in the spectral shifts of the heme Soret band by Eaton and collaborators (Ansari et al., 1992, ...
Predicting protein functions by relaxa- tion labelling protein interaction network [J]. BMC Bioinformatics, 2010, 11( Suppl 1) : S64.HU P,JIANG H,EMILI A.Predicting protein functions by relaxation labelling protein interaction network[J].BMC Bioinformatics,2010,11(Suppl 1):S64....
R. (1979). The DNA-protein relax- ation complex of the plasmid RK2 :location of the site-specific nick in the region of the proposed origin of transfer. Mol&GenGenet 176, 1 8 3 189.Guiney, D. G., and D. R. Helinski. 1979. The DNA-protein relaxation complex of plasmid RK2: ...
若模型为同源建模等方法进行构建(rosetta本身就可以通过同源建模或者从头建模的方式建立模型),可以先进行relax的模型优化, 模型评价效果不理想可以采用分子动力学软件进行能量最小化的工作,当然如果模型质量较好或者本身为晶体结构也可以跳过这个步骤。 准备flag_local_docking文件 -in:file:native input_files/1v74.pdb ...
In order to simulate the EFX experiment, the protein crystal must fully relax to an equilibrium state before the dynamic response to an electric field can be investigated. Starting a simulation from the experimentally-resolved crystal structure placed in a lattice can lead to μs-long relaxation25...
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B. Matson, Rotating frame spin-lattice relax- ation in the presence of an off-resonance radiofrequency field. Scalar relaxation of 31P in PBr,. J. Magn. Reson. 33, 345-353 (1979).James, T. L., Matson, G. B. & Juntz, I. D. (1978). Protein rotational correlation times ...
Predicting protein functions by relaxa- tion labelling protein interaction network [J]. BMC Bioinformatics, 2010, 11( Suppl 1) : S64.HU P,JIANG H,EMILI A.Predicting protein functions by relaxation labelling protein interaction network[J].BMC Bioinformatics,2010,11(Suppl 1):S64....
(True) fast_relax.min_type("lbfgs_armijo_nonmonotone") fast_relax.ramp_down_constraints(False) #是否在协议过程中逐步降低制约因素的权重 if not os.getenv("DEBUG"): %time fast_relax.apply(pose) # Optionally, instead of running this you could reload the saved pose from a previously run ...
were subjected to the Rosetta Relax protocol (term referred to as RS in Eq.2). The IM data, ideal and experimental, were then used to score all the structures generated for each protein in Supplementary Data1and Supplementary Data6, respectively. Radius of gyration has previously been used as...