The main aim of Molsoft's Contract Research and Consulting Services is to help in the advancement of our client's research and development objectives through lasting, collaborative relationships. We provide solutions to specific scientific problems in the area of drug design, improvements in workflow, and the management of data, information, and knowledge, tailored directly to our customers' needs.

Molsoft's Contract Research and Consulting Services offer a method for Molsoft clients to leverage their resources - by being able to undertake large projects without making the investment in hiring, training, equipment or the required ramp-up time, Molsoft clients can maximize their existing systems while meeting the needs of their own customers in a more efficient and timely manner.

Drug Discovery Services

Protein modeling, protein target prioritization

We can build three-dimensional models and fully evaluate several candidate target genes. The procedures would include:

• building and optimization of three-dimensional model for each target of interest based on existing homologues with known structure
• identifying all potential "drugable" sites and pockets in each model
• evaluating model errors and structural flexibility around the sites of interest
• docking all known ligands to the binding sites to validate the models
• re-docking the ligands to fully flexible binding sites if necessary to improve the pocket models for further virtual ligand screening

Virtual Ligand Screening

The highly specialized research environments of life science industries require an experienced understanding of the drug discovery process. Many prescription drugs are the result of small molecules that were synthesized in large combinatorial libraries and tested ad hoc against potential targets. This random approach requires substantial capital investment and yields a minimal number of potential drug candidates. As an alternative to performing traditional high throughput screening, Molsoft's Virtual Ligand Screening methodology can conduct in silico high throughput screening of multi-million vendor or combi-chem compound libraries while experimentally testing only a few hundred or thousand of candidates. Using Molsoft's advanced technology software, chemical structures can virtually interact with a target and dynamically modify the chemical structure to induce a better interaction. Molsoft has been a leader in modeling and docking technology and through continuous development and growth intends to maintain this position.

Cheminformatics

Cheminformatics solutions are commonly applied during the lead qualification and optimization process as it applies to small molecules and proteins. Molsoft's Cheminformatics applications include structural analysis, simulation and molecular libraries. Molsoft in a collaboration with Biovitrum AB, Sweden, is co-developing a Cheminformatics Client System using Molsoft's proprietary programming languages and libraries. This product, called BeeHive, is already being used by Biovitrum as a program manager and database interface for chemical searches, analysis, and integration.

Software Development

Molsoft's Contract Research and Consulting Services division also provides software development using our libraries of routines for scientific data analysis and molecular manipulations. Molsoft develops interface software and the infrastructure necessary to allow communication between instrumentation controls and the data produced by those controls. The software developed is able to manage the data generated, to permit access to the databases of generated data, and to permit visualization and analysis of the data.

Custom Database and Information Management

Molsoft's Contract Research and Consulting Services also provides comprehensive information management for client organizations. Molsoft's universal, cross-platform web-based access tools provide password protected accounts to for any proprietary in-house data.