[PDF] CSAR Benchmark Exercise 2011

[PDF] CSAR Benchmark Exercise 2011–2012

CSAR Benchmark Exercise 2011–2012: Evaluation of Results from ...

The goal of the 2011–2012 blinded exercise was to compare different improvements for docking and relative ranking of congeneric series of ...

CSAR Benchmark Exercise 2011–2012: Evaluation of Results from ...

CSAR Benchmark Exercise 2011–2012: Evaluation of Results from Docking and Relative Ranking of Blinded Congeneric Series.

CSAR Benchmark Exercise 2011–2012: Evaluation of Results from ...

of the protein and ligand. Relative ranking was found to be the most difficult area for the methods, but many of the scoring functions were able ...

Lessons Learned over Four Benchmark Exercises from the ...

CSAR Benchmark Exercise 2011–2012: Evaluation of Results from Docking and Relative Ranking of Blinded Congeneric Series. J Chem Inf Model. 2013;53:1853–1870 ...

Lessons Learned in Empirical Scoring with smina from the CSAR ...

Request PDF | Lessons Learned in Empirical Scoring with smina from the CSAR 2011 Benchmarking Exercise | We describe a general methodology ...

CSAR Data Set Release 2012: Ligands, Affinities, Complexes, and ...

See "CSAR Benchmark Exercise 2011–2012: Evaluation of Results from Docking and Relative Ranking of Blinded Congeneric Series" on page 1853. Abstract. graphic ...

(PDF) Lessons Learned over Four Benchmark Exercises from the ...

5−8 These experiments were built on the experience of the earlier Community Structure−Activity Resource (CSAR) experiment. 9 The stated drives ...

CSAR Benchmark Exercise 2013: Evaluation of Results from a ...

Citations · PDF. Add to Library. Alert. CSAR Benchmark Exercise 2011–2012: Evaluation of Results from Docking and Relative Ranking of Blinded Congeneric Series.

D3R | Publications - Drug Design Data Resource

D3R Documents. D3R_PROPOSAL_SHARE_Optimized.pdf · D3R-Summary-Sheets-1P41GM135452-01.pdf ... "CSAR Benchmark Exercise 2011-2012: Evaluation of Results from ...

Lessons learned in empirical scoring with smina from the CSAR ...

... 2011 CSAR benchmark exercise. Methods. Using the CSAR-NRC HiQ 2010 dataset, we designed and implemented a custom empirical scoring function within smina.

Blind Pose Prediction, Scoring, and Affinity Ranking of the CSAR ...

included in the five data sets from Phase 2 (PDF). Table 2. Number of ... CSAR Benchmark Exercise 2011−2012: Evaluation of. Results from ...

Lessons Learned in Empirical Scoring with smina from the CSAR ...

... Activity Resource) 2010 data set, we created a custom scoring function and evaluated it in the context of the CSAR 2011 benchmarking exercise. We find that ...

Scoring Functions for Protein-Ligand Binding Affinity Prediction ...

CSAR Benchmark Exercise 2011-2012: Evaluation of Results from. Docking and Relative Ranking of Blinded Congeneric Series. J. Chem. Inf. Model ...

Continuous Evaluation of Ligand Protein Predictions - Cell Press

Damm-Ganamet, K.L. ∙ Smith, R.D. ∙ Dunbar, Jr., J.B. ... CSAR benchmark exercise 2011–2012: evaluation of results from docking and relative ranking of blinded ...

A Framework for Developing Directory of Useful Benchmarking Sets ...

CSAR Benchmark. Exercise 2011-2012: Evaluation of Results from Docking and Relative Ranking of Blinded. Congeneric Series. J. Chem. Inf. Model ...

Ligand-Based Features Rescue Structure-Based Scoring Functions ...

CSAR Benchmark Exercise of 2010: Selection of the Protein–Ligand Complexes. ... CSAR Benchmark Exercise 2011–2012: Evaluation of Results from Docking and Rela-.

Convex-PL: a novel knowledge-based potential for protein-ligand ...

Csar benchmark exercise. 2011–2012: Evaluation of results from dock- ing and relative ranking of blinded congeneric series. J. Chem. Inf ...

Heather A. Carlson, Ph.D. - LSA - University of Michigan

KL Damm-Ganamet, RD Smith, JB Dunbar Jr., JA Stuckey, HA Carlson. CSAR Benchmark Exercise 2011-. 2012: Evaluation of results from docking and relative ranking ...

TARTARUS: A Benchmarking Platform for Realistic And Practical ...

Csar benchmark exercise 2011–2012: Evaluation of results from docking and relative ranking of blinded congeneric series. Journal of Chemical Information and.

A Framework for Developing Directory of Useful Benchmarking Sets ...

Listings 1−7 (PDF). DUBS user guide (PDF). Various program input ... CSAR Benchmark Exercise 2011−2012: Evaluation · of Results from ...