Sentence examples for mean force derived from inspiring English sources

The landscape is mapped out by potentials of mean force derived from replica-exchange molecular dynamics simulations.

The energy criterion was evaluated by ProSA web server [ 19], which compares the potential of mean forces derived from a large set of NMR and X-ray crystallographically derived protein structures of similar sizes.

Much of its force derived from Nelsons' ability to identify himself totally with the score.

The frequency of the CC stretching vibration is 1,385 cm.−1 in C2H2 and 1,300 cm.−1 in C2D2, the derived mean force-constant being F = 7.2 × 105 dyne/cm.; while the vibration which together opens the angles has the frequency 1,049 cm.−1 in C2H2 and 835 cm.−1 in C2D2, the corresponding mean bending-force-constant being δ = 8.5 × 10−12 dyne.-cm./radian./radian

To cope with the sparse data problem, an algorithm was developed by Sali (1991) as an extension of the method used by Sippl (1990) to derive robust potentials of mean force.

This value is in qualitative agreement with free energy changes derived from a potential of mean force calculation and indirect experimental observations.

This force field has been derived carefully as a potential of mean force of the system studied, which is further expressed in terms of the Kubo cluster-cumulant functions.

We present DPD simulations of linear polyethylene melts with force fields derived from microscopic simulations using the concept of potential of mean force.

Zhou et al. [ 16] derived two protein stability scales from atom-atom potential of mean force based on Distance scaled Finite Ideal-gas REference (DFIRE) state (S1) and a large database of mutations (S2).

This integral equation theory is derived from the molecular Ornstein-Zernicke equation and enables us to calculate the potential of mean force (PMF) including physics-based solvation contributions with very high computational efficiency.

Figure 2 Potential of mean force (PMF).