Exact(1)
Analyzing the frames of trajectory, a suitable explanation was found for what interaction could accompany electronegative π-clouds of halide atoms.
Similar(59)
Frames of the trajectory were captured after every 4.8 ps of the time interval.
As a pre-processing, normalization step, several elementary transforms are applied to the body at each frame of its trajectory before the computation of descriptors.
In preparation for this, the C α atoms from each frame of the trajectory were aligned using least-squares fitting to the coordinates of the starting conformation.
The focus on the present and the future gives preference to these time periods and the framing of that trajectory as a specific 'disaster'disaster
In each Shaker cycle, distance and energy metrics are calculated describing target-ligand interactions at each time step (frame) of a trajectory.
In video annotation, instead of annotating every frame of a trajectory, usually only a sparse set of annotations is provided by the user: typically its endpoints plus some key intermediate frames, interpolating the remaining annotations between these key frames in order to reduce the cost of the video labeling.
Prior to the performance of PCA, translational and rotational motions were removed by fitting the sampled coordinates to the first equilibrated frame of the trajectory.
Focusing on the initial 20 ms diffusion step of each track (simply the step length in the first full 20 ms frame of that trajectory) revealed that, within error, full-length PKCα and its isolated C2 domain exhibited the same average initial step length, as shown in Figure 5A.
The calculation of the delta energy of binding (ΔG) of Gli1ZF to DNA was performed along 200 frames of each MD trajectory, by means of the Molecular Mechanics Poisson Boltzmann Surface Area (MM-PBSA) method.
The common point in all these approaches is the calculation of a partially [99] (Fig. 6C) or totally [102] averaged MM potential, which is normally evaluated by some variation of collecting independent positions of all solvent atoms over a number of frames of an MD trajectory, and then averaging over all solvent positions, which are sent to the QM program as point charges [108].
Write better and faster with AI suggestions while staying true to your unique style.
Since I tried Ludwig back in 2017, I have been constantly using it in both editing and translation. Ever since, I suggest it to my translators at ProSciEditing.

Justyna Jupowicz-Kozak
CEO of Professional Science Editing for Scientists @ prosciediting.com