Molecular Simulation & Design (MSD) Lab @ BUAA
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Draw Molecules

1. Marvin JS Editor (RCSB)

2. JSME (manual)

Images to Structures

1. CollectorTM

2. 摩熵化学（MolAid)

Parameterize Molecules for MD Simulations

1. CGenFF (CHARMM AA FF)

2. Automartini_M3 (Martini3 CG FF)

© 2021~now MSD Lab @ BUAA.

Address: Room West 205-1 (Buliding #5), 37# College Road, Haidian District, Beijing, P.R. China.

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