Real Time Ray-traced Graphics
* Visualize molecular systems with ray-traced quality in real time
* Create high quality images for posters and presentations
* Use multicolored backgrounds, new styles and focal blur effects
* Samples available in MOE Image Gallery

Scaffold Replacement/Fragment Linking
* Find new scaffolds, link R-groups or grow molecules
* Apply synthetic feasibility test
* Filter with 2D and 3D constraints (descriptors, fingerprints,
pharmacophore)

MOE/web SOAP Server
* Deploy MOE functionality with the web SOAP protocol
* Integrate MOE into pipeline workflows
* Add custom SOAP functionality with SVL programs

LowModeMD Conformational Search
* Generate conformations from low frequency vibrational mode
transitions
* Use novel implicit velocity filtering methodology for large
systems
* Apply to small molecules, macrocycles, or protein loops

Synthetic Score Descriptor
* Perform extensive retrosynthetic disconnections
* Compare fragments to a starting materials database
* Report fraction of molecule reduced to starting materials

Protein/Antibody Modeling
* Create antibody models using the MOE/web interface
* Select antibody CDR geometry from pre-calculated clusters
* Align proteins with enhanced algorithm and interface

http://www.chemcomp.com/software-moe2009.htm

Download File Size:634.26 MB

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