AlphaFold2预测结构能否直接用于虚拟筛选?
AlphaFold2已经从CASP14大会上横空出世了好久,也对外共享了预测结构数据库AlphaFold Protein Structure Database。对于做CADD的人而言,以前很多没有结构的蛋白靶点也终于有了结构数据可供分析计算…
lets consider a simple linear programming problem using MATLAB and the CVX toolbox. In this example, we want to maximize the objective function f(x,y)3x2yf(x,y)3x2y subject to the constraints:
2xy≤20
2xy≤20 4x−5y≥−10
4x−5y≥−10 x,y≥0 x,y≥0
Her…