Abstract: Systems, methods, and instrumentalities are described for computational drug discovery. Computational experiments may be created and performed based on a ligand dataset and a receptor against which the ligands are evaluated. The computational experiments may include pose and free energy calculations, from which mapping and alchemical properties of the ligands may be determined. Various forms of feedback regarding the status, progress, and results of the computational experiments may be provided, and a user may add, modify or re-run an experiment based on the feedback to further inspect the affinity and/or selectivity of the ligands.

Abstract: A compound of Formula (I) or a pharmaceutically acceptable salt thereof is described, wherein the substituents are as defined herein. Pharmaceutical compositions comprising the same and method of using the same are also described.

Abstract: A control device is provided to share data communication ports and control Close Circuit Televisions (CCTVs) Matrix Switches for network users. The control device issues a command to a Central Command Dispatch Server (CCDS). The control device identifies a best route to dispatch the command. The control device dispatches the command to a CCTV matrix switch via an appropriate data communication port according to the best route.

Abstract: A network system is provided to route messages within a Network Address Translation (NAT) environment. The network system registers address information of a Private Network System (PNS) with a System Node Master (SNM). The network system locates system nodes of the PNS by issuing a request to the SNM. The network system provides communication between the system nodes and a remote user.