Chemical Computing Group Moe 2009.10 Multiplatform (1 cd)

Chemical Computing Group Moe 2009.10 Multiplatform (1 cd)

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

chemcomp/software moe2009.htm

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