Siyoung Kim

Sep 9, 2024 | dx.doi.org | Siyoung Kim

Apr 6, 2024 | dx.doi.org | Siyoung Kim |Jessica Swanson |Gregory A. Voth

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Oct 21, 2023 | biorxiv.org | Siyoung Kim

AbstractI present a powerful and flexible backmapping tool named Multiscale Simulation Tool (mstool) that converts a coarse-grained (CG) system into all-atom (AA) resolution and only requires AA to CG mapping and isomeric information (cis/trans/dihedral/chiral). The backmapping procedure includes two simple steps: a) AA atoms are randomly placed near the corresponding CG beads according to the provided mapping scheme.

Sep 6, 2023 | biorxiv.org | Siyoung Kim

AbstractI present a powerful and flexible backmapping tool named Multiscale Simulation Tool (mstool) that converts a coarse-grained (CG) system into all-atom (AA) resolution and only requires AA to CG mapping and isomeric information (cis/trans/chiral). The backmapping procedure includes two simple steps: a) the AA atoms are randomly placed near the corresponding CG beads according to the provided mapping scheme. b) the energy minimization is performed with two modifications in the forcefield.

Aug 18, 2023 | dx.doi.org | Siyoung Kim

I present a powerful and flexible backmapping tool named Multiscale Simulation Tool (mstool) that converts a coarse-grained (CG) system into all-atom (AA) resolution and only requires AA to CG mapping and isomeric information (cis/trans/dihedral/chiral). The backmapping procedure includes two simple steps: (a) AA atoms are randomly placed near the corresponding CG beads according to the provided mapping scheme. (b) Energy minimization is performed with two modifications in the AA force field (FF).