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[求助]
求助Maestro怎么构建单个小分子的三聚体?
Tripolymers of 10d were built and energy optimized in the opls3 force field in Maestro, Schrödinger.
附图注释:Docking conformation of 10d tripolymer in FpvA. (A) Structures of cis- and trans-tripolymers. (B) Tripolymer in the binding pocket of
Pvd, (PDB code 2W6T). (C) Cis (−10.499) and trans (−9.182) tripolymers docking results. (D) Cis-tripolymer (−10.499) and Pvd (−7.37). Cisand
trans-tripolymers are depicted in green and yellow cylinders, respectively. Pvd is in purple.
![求助Maestro怎么构建单个小分子的三聚体?]()
360截图20201011155110070.jpg |
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