Omega Redux

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Omega Redux

Omega Redux

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Version Comparison<br />

Boström<br />

Perola<br />

Gold2<br />

RMS <strong>Omega</strong> 1.8 <strong>Omega</strong> 2.0<br />

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Toolkit Release Notes -- C# - OpenEye Scientific Software

Extracting SAR Rules from Compound Data

pdf 6.58M

Virtual Exploration of Chemical Space by Database Generation

11 Toolkits. What can you do with them?

Electrostatic Similarity

Ensemble Docking Revisited

pdf 3.1 M - OpenEye Scientific Software

Fragment-based Design - Hugo Kubinyi

pdf 609 K

Scaffold Hopping - OpenEye Scientific Software

Better Depictions with Ogham

pdf 1.95M - OpenEye Scientific Software

Screenscore - OpenEye Scientific Software

Intro to OEChem

<strong>Omega</strong>2 Builder vs X-ray Gold2 RMS X-ray <strong>Omega</strong>2

Version Comparison Boström Perola Gold2 RMS <strong>Omega</strong> 1.8 <strong>Omega</strong> 2.0

Page 1 and 2: Omega Redux Matthew T. Stahl CUP VI
Page 3 and 4: Why not Omicron? • Stochastic pro
Page 5 and 6: Makefraglib Statistics • 2.4M ven
Page 7 and 8: Generating Ring Conformers • Exoc
Page 9 and 10: User Defined Templates • -fixfile
Page 11: Reproducing Bioactive Conformations
Page 15 and 16: Force Field Selection • mmff •
Page 17 and 18: Force Field Comparison Perola RMS M
Page 19 and 20: Force Field Comparison Perola RMS M
Page 21 and 22: Effect of Optimization Perola ~40 m
Page 23 and 24: Conclusions • Omega2 sucks less