CHEMICAL COMPUTING GROUP RELEASES MOE 2014.09
MONTREAL, Canada –December 9, 2014
Chemical Computing Group is pleased to announce the 2014 release of the Molecular Operating Environment (MOE). MOE version 2014.09 introduces automated protocols for organizing SBDD project data in the form of MOE Project, template-based docking and QM refinement of conformations and energy minimize. Select Computer-Aided Biologics Design (CABD) applications include, focused virtual protein and antibody library generation, non-natural amino acid sampling for synthetic proteins and peptides as well as a set of specialized Protein Family Databases and a dedicated Protein Family Search application for streamlined structure-based design. Key MOE2014.09 features consist of:
"Structure-based drug design and molecular modeling techniques have become indispensable tools for drug discovery, however, managing, organizing and deploying the data across multiple discovery departments remains a challenge."" said Paul Labute, President and CEO of CCG. "MOE project provides a streamlined platform for aggregating and disseminating 3D and 2D SBDD data across an organization."
"Exhaustive sampling of the sequence space for optimizing the properties of biologics through display methods, such as phage display, require lengthy timelines and include mutation combinations that are non-optimal” said Elizabeth Sourial, Executive Vice-President at CCG. "In the hope of reducing the number of unproductive mutation combinations and to efficiently sample the sequence space, we have introduced a probabilistic approach to rationally generate virtual focused mutant libraries for protein engineering. The new application can be coupled with experimental data or can be used as a standalone computational method to assess the mutability profile of a given sequence site and its impact on protein property, namely thermostability or affinity."
Additional features in MOE 2014.09 include QM conformational refinement and energy minimize as well as template-based docking. The new template-based docking placement method allows the computational or medicinal chemist to use a knowledge-based approach to dock both congeneric and cross-congeneric series of ligands and score the resulting poses within the active site. For more information on MOE 2014.09, please contact:
About Chemical Computing Group
CCG (Chemical Computing Group) is a leading supplier of software solutions for life sciences. With a proven track record in scientific innovation, CCG continues to provide state-of-the-art applications in drug discovery to pharmaceutical, biotechnology and academic researchers. CCG’s software platform is the Molecular Operating Environment (MOE) which is used by computational chemists, medicinal chemists and biologists in the major pharmaceutical and biotechnology companies throughout the world. CCG has a very strong reputation for collaborative scientific support, maintaining support offices in both Europe and North America. Founded in 1994, CCG is headquartered in Montreal, Canada. For more information visit: www.chemcomp.com
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