Molecular Modeling & Simulation - Nano Mahidol - Mahidol University
Molecular Modeling & Simulation - Nano Mahidol - Mahidol University
Molecular Modeling & Simulation - Nano Mahidol - Mahidol University
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Bt Cry4B in Water<strong>Molecular</strong> <strong>Modeling</strong>Collaboration with Dr. Chanan Angsuthanasombat<strong>Simulation</strong> has found movement of domain 1 from otherdomains, which could be the initial step for pore formation.3.63.53.4Distance (nm)3.33.23.13.0Domain1 and Domain2Domain1 and Domain3Domain2 and Domain32.92.80 1 2 3 4Time (ns)Bt Cry4B in Water<strong>Molecular</strong> <strong>Modeling</strong>Collaboration with Dr. Chanan AngsuthanasombatSolvent Accessible Surface Area (SASA) of hydrophilic partis decreasing, leading to total decrease of over all SASA.1000SASA of hydrophobic partSASA of hydrophilic partArea (nm 2 )700Area / nm 2950650Hydrophobic partHydrophilic part9001 2 3 4 1 2 3 4Time (ns)t / ns
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