CODE DESCRIPTION. 1 This firm is unavailable to participate in the contract for the reason(s) stated on the DBE Solicitation Response. (Attach explanation to the Log.) 2 This firm is no longer in business. (NOTE: If this action is checked, attach your explanation as to why the solicitation was sent to the firm and how evidence that it was no longer in business was obtained. Attach the returned envelope showing that it was undeliverable, for instance.
CODE DESCRIPTION. F06.0 Psychotic disorder with hallucinations due to known physiological condition
CODE DESCRIPTION. Alya is a multi-scale, multi-physics simulation code developed by the team co-lead by Xxxxxxx Xxxxxxx and Xxxxxxxxx Xxxxxxxx at the Barcelona Supercomputing Centre (BSC). The simulations involve the solution of Partial Differential Equations in an unstructured mesh using Finite Elements methods. In the context of CompBioMed the code has been used for coupled cardiac fluid-electro-mechanical simulations, from ion-channel kinetics up to organ level; and simulations of the respiratory system, particularly focusing on particle deposition. Alya is available for use to researchers at several HPC systems; for clinical and industrial users, BSC recommends users access it as a service, due to the complexity involved with setting up simulations. To this purpose BSC has launched a spin-off (ELEM Biotech [9]) that will provide commercial software-as-a-service to medical device, pharmaceutical and biomedical industries using Alya.
CODE DESCRIPTION. Binding Affinity Calculator (BAC), developed in part by UCL and partly by EnsembleMD [34], is a workflow for the automated building, execution and analysis of a diverse range of Molecular Dynamics (MD) based free energy calculations. Designed to coordinate large numbers of simulations, it currently runs on multi-petaflops and emerging exascale environments. The workflow tool runs and analyses simulations designed to assess how well drugs bind to their target proteins and the impact of changes to those proteins. The code uses ensemble simulations to robust, accurate and precise free energy computations from both alchemical and end-point analysis methodologies. BAC is a fairly complex tool to use, so at the moment the development team at UCL have made it available as part of consulting services or for research collaborations. EnsembleMD provides user-friendly interfaces to related binding affinity calculation services also available through the on-line store of associate partner DNAnexus (limited access).
