Analysis was performed using the software CalcuSyn (Biosoft, Ferguson, MO, USA) (see Figure 3 for CI values), which allows automated simulation of synergism and antagonism at all dose and effect levels and displays the methods of Chou and Talalay [20], including median effect plot and CI values.
Unit cells with a realistic internal geometry are generated within an automated simulation work-flow.
A Monte Carlo method running several thousand automated simulations was carried out as well as an analysis focussing especially on temperature effects.
To verify the concept and test the feasibility of this framework, a model consisting of several components, including automated data capturing, simulation, and visualization, was developed and implemented in the fabrication phase of steel construction.
In the present study, we have used an approach combining protein structure modeling, molecular dynamics (MD) simulation, automated docking, and 3D QSAR analyses to investigate the detailed interactions of CCR5 with their antagonists.
Billings approached Tom Shaw from Avalon Hill the company produced many war games that Billings played as a child and one of the founders of Automated Simulations to share market data, but aroused no interest.
Automated breach simulation takes the hackers' methods and continuously tests the strength of your cybersecurity.
In order to go further insights into interaction mode of MdOS with these kinase proteins at the atomic level, the automated docking simulation exemplified by MdOS-VEGFR2 and MdOS-EGFR interaction were performed.
It combines simulation, automated heat integration and multi-objective optimisation.
In this work, we aimed to investigate the possibility of generating high-resolution models of small proteins in an automated and fast simulation.
To dig out helpful information in designing dual functional inhibitors against the two enzymes, homology modeling, molecular dynamics (MD) simulations, automated docking, and 3D-QSAR analyses were performed in this study on 21 COX-2/5-LOX dual inhibitors, namely, 7-tert-butyl-2,3-dihydro-3,3-dimethylbenzofuran (DHDMBF) analogues.
