Calculation of pathways for the conforma
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José Fernando Díaz; Berthold Wroblowski; Jürgen Schlitter; Yves Engelborghs
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Article
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1997
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John Wiley and Sons
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English
⚖ 330 KB
👁 2 views
The transitions between the water-equilibrated structures of the GTP and GDP forms of Ha-ras-p21 have been calculated by using the targeted molecular dynamics (TMD) method (Schlitter et al., Mol. Sim. 10:291-309, 1993) both in vacuo and with explicit solvent simulation. These constrained molecular d