Conformational States of Ras Complexed with the GTP Analogue GppNHp or GppCH 2 p: Implications for the Interaction with Effector Proteins †

Calculation of pathways for the conforma

Calculation of pathways for the conformational transition between the GTP- and GDP-bound states of the Ha-ras-p21 protein: Calculations with explicit solvent simulations and comparison with calculations in vacuum

✍ José Fernando Díaz; Berthold Wroblowski; Jürgen Schlitter; Yves Engelborghs 📂 Article 📅 1997 🏛 John Wiley and Sons 🌐 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