Concepedia

The transition between active and inactive conformations of Abl kinase studied by rock climbing and Milestoning

Brajesh Narayan, Arman Fathizadeh, Clark Templeton, Peng He, Shima Arasteh, Ron Elber, Nicolae‐Viorel Buchete, Ron M. Levy

Biochimica et Biophysica Acta (BBA) - General Subjects · 2019 · 37 citations · 45 references

DOIFull text

Open access

Concepts

References

45

VMD: Visual molecular dynamics

William Humphrey, Andrew Dalke, Klaus Schulten · Journal of Molecular Graphics · 1996 · 66.6K citations

, , +12

A smooth particle mesh Ewald method

Ulrich Essmann, L. Perera, Max L. Berkowitz et al. · The Journal of Chemical Physics · 1995 · 22.9K citations

, , +13

Numerical integration of the cartesian equations of motion of a system with constraints: molecular dynamics of n-alkanes

Jean-Paul Ryckaert, Giovanni Ciccotti, Herman J. C. Berendsen · Journal of Computational Physics · 1977 · 21.5K citations

, , +11

Scalable molecular dynamics with NAMD

J. C. Phillips, Rosemary Braun, Wei Wang et al. · Journal of Computational Chemistry · 2005 · 17.4K citations · Full text

, , +17

CHARMM36m: an improved force field for folded and intrinsically disordered proteins

Jing Huang, Sarah Rauscher, Grzegorz Nawrocki et al. · Nature Methods · 2016 · 7.6K citations · Full text

, , +12