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Updated: Jul 12, 2026

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溶解と分子内相互作用のバランスをとる:一貫した一般化された生まれの力場に向かって

Jianhan Chen1, Wonpil Im, Charles L Brooks

  • 1Department of Molecular Biology, The Scripps Research Institute, 10550 North Torrey Pines Road, La Jolla, California 92037, USA.

Journal of the American Chemical Society
|March 16, 2006
PubMed
まとめ

一般化されたBorn (GB) のような暗黙の溶媒モデルを,原子半径とバックボーンエネルギーで最適化すると,バイオ分子シミュレーションが改善されます. このバランスのとれた力場は,ペプチドの折りたたみとタンパク質の動態を正確に予測します.

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