CCL: CCG releases MOE 2012.10 with an expanded set of biologics applications

 Sent to CCL by: "Raul Alvarez" [ralvarez:-:chemcomp.com]
 We are pleased to announce the release of MOE 2012.10. This latest version
 of MOE includes new applications focused on protein engineering and
 biologics tools as well as new enhancements in the areas of usability, force
 field development and reaction-based combinatorial library enumeration. More
 about MOE?s integrated biologics applications at
 http://www.chemcomp.com/software-biologics.htm.
 For additional information or to request a free trial of MOE 2012.10, please
 contact: Raul Alvarez, Sr. Marketing Manager, ralvarez!=!chemcomp.com
 ===============================================================
 NEW & ENHANCED FEATURES IN MOE 2012.10
 ===============================================================
 *Integrated Protein Engineering Applications*
 - Residue scanning to identify critical residues for affinity
 - Search for optimal mutations to modulate thermostability
 - Predict hydrophobic and electrostatic hot spots with the protein Patch
 Analyzer
 *Domain Motif Searching*
 - Compare protein domains based on secondary structure elements
 - Search proteins for secondary structure sub-geometries
 - Identify similarities independent of sequence
 *Amber12:EHT: New Force Field for Biopolymers and Small Molecules*
 - Amber12 parameters for proteins and nucleic acids
 - Extended Hückel Theory parameterization of small molecules
 - More precise treatment of resonance and substituent effects
 *Reaction-based Library Enumeration and Screening*
 - New reaction engine combined with library enumeration or sampling
 - Sketch reactions or core/R-group libraries
 - Screen products with 2D or 3D filters (educts & products)
 *Usability Enhancements*
 - Docked System Manager with control over surfaces
 - Undo, redo, keyboard shortcuts, configurable mouse, drag & drop, etc.
 - 2D sketcher integration with MOE Window
 ===============================================================
 MOE MAIN APPLICATION AREAS: http://www.chemcomp.com/software.htm
 Structure-Based Design | Fragment-Based Design | Pharmacophore Discovery |
 Biologics & Protein Modeling | QSAR & HTS Cheminformatics | Medicinal
 Chemistry Design
 ===============================================================
 Read/download the official MOE 2012.10 press release at
 http://www.chemcomp.com/press_releases/2012-11-21-MOE2012.10.pdf