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由 MR Shirts 著作2017被引用 2 次 — Erratum to: Lessons learned from comparing molecular dynamics engines on the SAMPL5 dataset. Erratum; Published: 27 July 2017. Volume 31, page ...

Lessons learned from comparing molecular dynamics ...

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由 MR Shirts 著作2017被引用 286 次 — We describe our efforts to prepare common starting structures and models for the SAMPL5 blind prediction challenge. We generated the starting input files ...

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Erratum to: Lessons learned from comparing molecular ...

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由 MR Shirts 著作2017被引用 2 次 — Erratum to: Lessons learned from comparing molecular dynamics engines on the SAMPL5 dataset. J Comput Aided Mol Des. 2017 Aug;31(8):777. doi: 10.1007/s10822 ...

Erratum to: Lessons learned from comparing molecular ...

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由 MR Shirts 著作2017被引用 2 次 — Erratum to: Lessons learned from comparing molecular dynamics engines on the SAMPL5 dataset. 2017. Shirts, Michael R;; Klein, Christoph;; Swails, Jason M;; Yin ...

Erratum to: Lessons learned from comparing molecular ...

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2017年7月27日 — Erratum to: Lessons learned from comparing molecular dynamics engines on the SAMPL5 dataset. August 2017; Journal of Computer-Aided Molecular ...

Lessons learned from comparing molecular dynamics ...

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We describe our efforts to prepare common starting structures and models for the SAMPL5 blind prediction challenge. We generated the starting input files ...

Lessons learned from comparing molecular dynamics engines ...

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Top-performers included a quantum mechanical approach with continuum solvent models and functional group corrections, alchemical molecular dynamics simulations ...

Lessons learned from comparing molecular dynamics engines ...

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Erratum to: Lessons learned from comparing molecular dynamics engines on the SAMPL5 dataset · Michael R. Shirts, Christoph Klein, +5 authors. Ellen D. Zhong ...

Erratum to: Lessons learned from comparing molecular ...

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由 MR Shirts 著作2017被引用 2 次 — ERRATUM. Erratum to: Lessons learned from comparing molecular dynamics engines on the SAMPL5 dataset. Michael R. Shirts1 · Christoph Klein2 ...