Castillo-Garit JA - Search Results

1

Machine learning approach to discovery of small molecules with potential inhibitory action against vasoactive metalloproteases.

Cañizares-Carmenate Y, Mena-Ulecia K, MacLeod Carey D, Perera-Sardiña Y, Hernández-Rodríguez EW, Marrero-Ponce Y, Torrens F, Castillo-Garit JA. Cañizares-Carmenate Y, et al. Among authors: castillo garit ja. Mol Divers. 2022 Jun;26(3):1383-1397. doi: 10.1007/s11030-021-10260-0. Epub 2021 Jul 3. Mol Divers. 2022. PMID: 34216326

2

Atom, atom-type and total molecular linear indices as a promising approach for bioorganic and medicinal chemistry: theoretical and experimental assessment of a novel method for virtual screening and rational design of new lead anthelmintic.

Marrero-Ponce Y, Castillo-Garit JA, Olazabal E, Serrano HS, Morales A, Castañedo N, Ibarra-Velarde F, Huesca-Guillen A, Sánchez AM, Torrens F, Castro EA. Marrero-Ponce Y, et al. Bioorg Med Chem. 2005 Feb 15;13(4):1005-20. doi: 10.1016/j.bmc.2004.11.040. Bioorg Med Chem. 2005. PMID: 15670908

3

Protein linear indices of the 'macromolecular pseudograph alpha-carbon atom adjacency matrix' in bioinformatics. Part 1: prediction of protein stability effects of a complete set of alanine substitutions in Arc repressor.

Marrero-Ponce Y, Medina-Marrero R, Castillo-Garit JA, Romero-Zaldivar V, Torrens F, Castro EA. Marrero-Ponce Y, et al. Bioorg Med Chem. 2005 Apr 15;13(8):3003-15. doi: 10.1016/j.bmc.2005.01.062. Bioorg Med Chem. 2005. PMID: 15781410

4

Linear indices of the 'macromolecular graph's nucleotides adjacency matrix' as a promising approach for bioinformatics studies. Part 1: prediction of paromomycin's affinity constant with HIV-1 psi-RNA packaging region.

Marrero Ponce Y, Castillo Garit JA, Nodarse D. Marrero Ponce Y, et al. Bioorg Med Chem. 2005 May 16;13(10):3397-404. doi: 10.1016/j.bmc.2005.03.010. Bioorg Med Chem. 2005. PMID: 15848751

5

TOMOCOMD-CARDD, a novel approach for computer-aided 'rational' drug design: I. Theoretical and experimental assessment of a promising method for computational screening and in silico design of new anthelmintic compounds.

Marrero-Ponce Y, Castillo-Garit JA, Olazabal E, Serrano HS, Morales A, Castañedo N, Ibarra-Velarde F, Huesca-Guillen A, Jorge E, del Valle A, Torrens F, Castro EA. Marrero-Ponce Y, et al. J Comput Aided Mol Des. 2004 Oct;18(10):615-34. doi: 10.1007/s10822-004-5171-y. J Comput Aided Mol Des. 2004. PMID: 15849993

6

3D-chiral atom, atom-type, and total non-stochastic and stochastic molecular linear indices and their applications to central chirality codification.

Marrero-Ponce Y, Castillo-Garit JA. Marrero-Ponce Y, et al. J Comput Aided Mol Des. 2005 Jun;19(6):369-83. doi: 10.1007/s10822-005-7575-8. J Comput Aided Mol Des. 2005. PMID: 16231198

7

Atom-based 3D-chiral quadratic indices. Part 2: prediction of the corticosteroid-binding globulinbinding affinity of the 31 benchmark steroids data set.

Castillo-Garit JA, Marrero-Ponce Y, Torrens F. Castillo-Garit JA, et al. Bioorg Med Chem. 2006 Apr 1;14(7):2398-408. doi: 10.1016/j.bmc.2005.11.024. Epub 2005 Dec 1. Bioorg Med Chem. 2006. PMID: 16325409

8

Predicting antitrichomonal activity: a computational screening using atom-based bilinear indices and experimental proofs.

Marrero-Ponce Y, Meneses-Marcel A, Castillo-Garit JA, Machado-Tugores Y, Escario JA, Barrio AG, Pereira DM, Nogal-Ruiz JJ, Arán VJ, Martínez-Fernández AR, Torrens F, Rotondo R, Ibarra-Velarde F, Alvarado YJ. Marrero-Ponce Y, et al. Bioorg Med Chem. 2006 Oct 1;14(19):6502-24. doi: 10.1016/j.bmc.2006.06.016. Epub 2006 Jul 27. Bioorg Med Chem. 2006. PMID: 16875830

9

Atom-based stochastic and non-stochastic 3D-chiral bilinear indices and their applications to central chirality codification.

Castillo-Garit JA, Marrero-Ponce Y, Torrens F, Rotondo R. Castillo-Garit JA, et al. J Mol Graph Model. 2007 Jul;26(1):32-47. doi: 10.1016/j.jmgm.2006.09.007. Epub 2006 Sep 26. J Mol Graph Model. 2007. PMID: 17110145

10

Estimation of ADME properties in drug discovery: predicting Caco-2 cell permeability using atom-based stochastic and non-stochastic linear indices.

Castillo-Garit JA, Marrero-Ponce Y, Torrens F, García-Domenech R. Castillo-Garit JA, et al. J Pharm Sci. 2008 May;97(5):1946-76. doi: 10.1002/jps.21122. J Pharm Sci. 2008. PMID: 17724669 Review.

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

40 results

Search Page