Morreale A - Search Results

1

MM-ISMSA: An Ultrafast and Accurate Scoring Function for Protein-Protein Docking.

Klett J, Núñez-Salgado A, Dos Santos HG, Cortés-Cabrera Á, Perona A, Gil-Redondo R, Abia D, Gago F, Morreale A. Klett J, et al. Among authors: morreale a. J Chem Theory Comput. 2012 Sep 11;8(9):3395-408. doi: 10.1021/ct300497z. Epub 2012 Aug 14. J Chem Theory Comput. 2012. PMID: 26605745

2

CRDOCK: an ultrafast multipurpose protein-ligand docking tool.

Cortés Cabrera Á, Klett J, Dos Santos HG, Perona A, Gil-Redondo R, Francis SM, Priego EM, Gago F, Morreale A. Cortés Cabrera Á, et al. Among authors: morreale a. J Chem Inf Model. 2012 Aug 27;52(8):2300-9. doi: 10.1021/ci300194a. Epub 2012 Jul 19. J Chem Inf Model. 2012. PMID: 22764680

3

A new implicit solvent model for protein-ligand docking.

Morreale A, Gil-Redondo R, Ortiz AR. Morreale A, et al. Proteins. 2007 May 15;67(3):606-16. doi: 10.1002/prot.21269. Proteins. 2007. PMID: 17330937

4

gCOMBINE: A graphical user interface to perform structure-based comparative binding energy (COMBINE) analysis on a set of ligand-receptor complexes.

Gil-Redondo R, Klett J, Gago F, Morreale A. Gil-Redondo R, et al. Among authors: morreale a. Proteins. 2010 Jan;78(1):162-72. doi: 10.1002/prot.22543. Proteins. 2010. PMID: 19705486

5

VSDMIP 1.5: an automated structure- and ligand-based virtual screening platform with a PyMOL graphical user interface.

Cabrera ÁC, Gil-Redondo R, Perona A, Gago F, Morreale A. Cabrera ÁC, et al. Among authors: morreale a. J Comput Aided Mol Des. 2011 Sep;25(9):813-24. doi: 10.1007/s10822-011-9465-6. Epub 2011 Aug 9. J Comput Aided Mol Des. 2011. PMID: 21826555

6

A reverse combination of structure-based and ligand-based strategies for virtual screening.

Cortés-Cabrera A, Gago F, Morreale A. Cortés-Cabrera A, et al. Among authors: morreale a. J Comput Aided Mol Des. 2012 Mar;26(3):319-27. doi: 10.1007/s10822-012-9558-x. Epub 2012 Mar 7. J Comput Aided Mol Des. 2012. PMID: 22395903

7

ALFA: automatic ligand flexibility assignment.

Klett J, Cortés-Cabrera Á, Gil-Redondo R, Gago F, Morreale A. Klett J, et al. Among authors: morreale a. J Chem Inf Model. 2014 Jan 27;54(1):314-23. doi: 10.1021/ci400453n. Epub 2014 Jan 15. J Chem Inf Model. 2014. PMID: 24392957

8

A computational fragment-based de novo design protocol guided by ligand efficiency indices (LEI).

Cortés-Cabrera Á, Gago F, Morreale A. Cortés-Cabrera Á, et al. Among authors: morreale a. Methods Mol Biol. 2015;1289:89-100. doi: 10.1007/978-1-4939-2486-8_8. Methods Mol Biol. 2015. PMID: 25709035

9

Comparative binding energy (COMBINE) analysis supports a proposal for the binding mode of epothilones to β-tubulin.

Coderch C, Klett J, Morreale A, Fernando Díaz J, Gago F. Coderch C, et al. Among authors: morreale a. ChemMedChem. 2012 May;7(5):836-43. doi: 10.1002/cmdc.201200065. Epub 2012 Mar 16. ChemMedChem. 2012. PMID: 22431398

10

AtlasCBS: a web server to map and explore chemico-biological space.

Cortés-Cabrera A, Morreale A, Gago F, Abad-Zapatero C. Cortés-Cabrera A, et al. Among authors: morreale a. J Comput Aided Mol Des. 2012 Sep;26(9):995-1003. doi: 10.1007/s10822-012-9587-5. Epub 2012 Jul 14. J Comput Aided Mol Des. 2012. PMID: 22798082

Save citations to file

Email citations

Send citations to clipboard

Add to Collections

Add to My Bibliography

Create a file for external citation management software

Your saved search

Your RSS Feed

My NCBI Filters

Text availability

Article attribute

Article type

Publication date

229 results

Search Page