baoilleach

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41 SlideShares 78 Followers 1 Following

41 SlideShares 78 Followers 1 Following

cheminformatics chemistry computational chemistry protein-ligand docking quantum chemistry lecture cadd drug design cclib open babel blue obelisk toolkit api docking acs239 cinfony reactions enzymes similarity pharmacophore computational drug design internet python macie enzyme mechanism enzyme classification gold iccs2008 databases solar cell qar openbabel chemistry cheminformatics

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Using Reaction Mechanism to measure Enzyme Similarity

15 years ago • 574 Views

Protein-Ligand Docking

15 years ago • 21089 Views

Cinfony - Combining disparate cheminformatics resources into a single toolkit

15 years ago • 1656 Views

Quantum Chemistry

15 years ago • 19714 Views

Quantum Chemistry II

15 years ago • 5190 Views

Quantum Chemistry III

15 years ago • 2407 Views

Cheminformatics

15 years ago • 4515 Views

Cheminformatics II

15 years ago • 1381 Views

Computational Drug Design

15 years ago • 13795 Views

Chemistry and the Internet

15 years ago • 1603 Views

Python for Chemistry

15 years ago • 3040 Views

cclib - parsers and algorithms for computational chemists

15 years ago • 547 Views

Open Babel 2.3 Quick Reference

15 years ago • 1170 Views

Interoperability and the Blue Obelisk

14 years ago • 972 Views

Improving enrichment rates

14 years ago • 884 Views

Why multiple scoring functions can improve docking performance - Testing hypotheses for rescoring success.

14 years ago • 124 Views

Towards Practical Molecular Devices

14 years ago • 771 Views

Application of Density Functional Theory to Scanning Tunneling Microscopy

14 years ago • 843 Views

Cinfony - Bring cheminformatics toolkits into tune

14 years ago • 1962 Views

De novo design of molecular wires with optimal properties for solar energy conversion

14 years ago • 1439 Views

Improving the quality of chemical databases with community-developed tools (and vice versa)

13 years ago • 1435 Views

Large-scale computational design and selection of polymers for solar cells

13 years ago • 2393 Views

Data Analysis in QSAR

13 years ago • 1680 Views

Making the most of a QM calculation

13 years ago • 1748 Views

Cheminformatics

13 years ago • 12785 Views

Protein-ligand docking

13 years ago • 167668 Views

Intro to Open Babel

12 years ago • 27413 Views

What's New and Cooking in Open Babel 2.3.2

12 years ago • 4143 Views

Universal Smiles: Finally a canonical SMILES string

12 years ago • 5766 Views

Chemistrify the Web

11 years ago • 5098 Views

MACiE - A Database for Classification of Enzyme Reaction Mechanisms

15 years ago • 598 Views

Digging deep for GOLD: How buriedness may be used to discriminate between actives and inactives in docking

15 years ago • 327 Views

Classification of Enzyme Reaction Mechanisms

15 years ago • 841 Views

Goslar2010 poster

14 years ago • 329 Views

The Blue Obelisk community

14 years ago • 361 Views

Why multiple scoring functions can improve docking performance - Testing hypotheses for rescoring success

14 years ago • 1444 Views

Density functional theory calculations on Ruthenium polypyridyl complexes incorporating 1,2,4-triazole

14 years ago • 1166 Views

My Open Access papers

13 years ago • 10780 Views

ChemSpider -Connecting and Curating Online Chemistry Resources

US Environmental Protection Agency (EPA), Center for Computational Toxicology and Exposure • 14 years ago

Chemistryand web2 ma walker 2 5 10

Elizabeth Brown • 15 years ago

Molekel - August 2009 ACS meeting

CSCS • 15 years ago

Cheminformatics in R

Rajarshi Guha • 15 years ago

cheminformatics chemistry computational chemistry protein-ligand docking quantum chemistry lecture cadd drug design cclib open babel blue obelisk toolkit api docking acs239 cinfony reactions enzymes similarity pharmacophore computational drug design internet python macie enzyme mechanism enzyme classification gold iccs2008 databases solar cell qar openbabel chemistry cheminformatics

See more