Juan A. Castillo‐Garit

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

Yovani Marrero‐Ponce, Juan A. Castillo‐Garit, Ervelio Olazábal et al. · Bioorganic & Medicinal Chemistry · 2004 · 96 citations

Combinatorial Chemistry, Medicinal Chemistry, Virtual Screening +14

Markovian chemicals "in silico" design (MARCH-INSIDE), a promising approach for computer-aided molecular design I: discovery of anticancer compounds

Humberto González‐Díaz, Ornella Gia, Eugenio Uriarte et al. · Journal of Molecular Modeling · 2003 · 86 citations

Combinatorial Chemistry, Engineering, Computer-aided Molecular Design +11

Atom, Atom-Type, and Total Linear Indices of the “Molecular Pseudograph’s Atom Adjacency Matrix”: Application to QSPR/QSAR Studies of Organic Compounds

Yovani Marrero‐Ponce, Juan A. Castillo‐Garit, Francisco Torrens et al. · Molecules · 2004 · 72 citations · Full text

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

Yovani Marrero‐Ponce, Ricardo Medina, Juan A. Castillo‐Garit et al. · Bioorganic & Medicinal Chemistry · 2005 · 67 citations

Biochemistry, Alanine Substitutions, Protein Folding +12

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

Yovani Marrero‐Ponce, Juan A. Castillo‐Garit, Ervelio Olazábal et al. · Journal of Computer-Aided Molecular Design · 2004 · 66 citations

Computational Screening, Medicinal Chemistry, Bioorganic Chemistry +15