QikProp generates physically relevant descriptors and uses them to perform ADMET predictions.
The reason for using biomechanical modelling in contrast to, for example, a Klatt synthesiser, lies in the ability of the biomechanical models to generate physically realistic trajectories between consecutive phonemes.
In this paper, we propose a two-step approach to formally synthesize controllers for bipedal robots so as to enforce specifications by design and thereby generate physically realizable stable walking.
The approach is to propose a power-balanced formulation of the complete system, from which a guaranteed-passive simulation is derived to generate physically-based realistic sound synthesis.
The model performs well at reproducing the present-day pattern of rainfall in the northeastern Mediterranean, and it generates physically-interpretable estimates of past rainfall consistent with global and regional proxy records of early Holocene climate.
The retention of all-atom detail and of the essential local covalent and noncovalent interactions, meanwhile, makes the generated structures physically realistic and useful for the interpretation of experimental data [ 30].
These flow maps are compared with experimental flow maps reported in literature and the gradient calculation scheme that generates a physically realizable flow map is reported.
If the constraints are not satisfied by the canonical initial data then the development of the data with respect to the evolution equations, will not generate a physically possible spacetime for choices of lapse and shift.
We generate a physically motivated continuum model that can both simulate existing fabrics and predict the behavior of novel fabrics based on the properties of the yarns and the weave.
Parametric analysis is subsequently followed to identify the individual and interdependent Re, Pu and Grp effects on the area-averaged Nusselt number (¯¯¯¯¯Nu) in the attempt to generates the physically consistent ¯¯¯¯¯Nu correlation to assist the design of the shaker-jet piston cooling system.
Our data show that unless the active-site charge balance is correctly treated in simulations, it is not possible to generate a physically meaningful model for the enzyme that can accurately reproduce activity and selectivity trends.
