Motivation. A set of thirty–four 1,5–diaryl pyrazoles having selective COX–2 inhibitory activity were analyzed using Comparative Molecular Field Analysis (CoMFA) and Comparative Molecular Similarity Indices Analysis (CoMSIA). One of the important steps in CoMFA is the derivation of active conformation and alignment of molecules. The success of CoMFA depends on the relative positioning of the ligands in the fixed lattice, prior to generation of the 3–D descriptors. Thus, we performed two different alignments such as as_is database alignment (the as_is option in the database alignment is used to align molecules to the template without changin
Three-dimensional quantitative structure–activity relationship (3D-QSAR) studies were performed for ...
Self-organizing molecular field analysis (SOMFA), a simple three-dimensionalquantitative structure–a...
A comparative molecular field analysis (CoMFA) of phthalazine class of phosphodiesterase IV (PDE IV)...
Motivation. A set of thirty-four 1,5-diaryl pyrazoles having selective COX-2 inhibitory activity wer...
were performed on a series of 5-aryl-2,2-dialkyl-4-phenyl--3(2H)-furanone derivatives, as selective ...
Two kinds of Three-dimensional Quantitative Structure-activity Relationship (3D-QSAR) methods, compa...
A 3D-QSAR study was conducted on a series of cinnamamides with anticonvulsant activities using compa...
Caballero, J (reprint author), Univ Talca, Ctr Bioinformat & Simulac Mol, Fac Ingn & Bioinformat, 2 ...
Three dimensional (3D) quantitative structure-activity relationship studies of 37 B-Raf inhibitors, ...
Selective cyclooxygenase inhibitors have attracted much attention in recent times in the design of n...
The present study describes the implementation of a new three-dimensional quantitative structure-act...
The present study describes the implementation of a new three-dimensional quantitative structure-act...
Our work shows that differdnt compound orientations have different results in Comparative Molecular ...
3D-QSAR studies were conducted on a series of paullones as CDK inhibitors using three-dimensional qu...
Comparative molecular field analysis (CoMFA) studies were conducted on a series of 100 isoniazid der...
Three-dimensional quantitative structure–activity relationship (3D-QSAR) studies were performed for ...
Self-organizing molecular field analysis (SOMFA), a simple three-dimensionalquantitative structure–a...
A comparative molecular field analysis (CoMFA) of phthalazine class of phosphodiesterase IV (PDE IV)...
Motivation. A set of thirty-four 1,5-diaryl pyrazoles having selective COX-2 inhibitory activity wer...
were performed on a series of 5-aryl-2,2-dialkyl-4-phenyl--3(2H)-furanone derivatives, as selective ...
Two kinds of Three-dimensional Quantitative Structure-activity Relationship (3D-QSAR) methods, compa...
A 3D-QSAR study was conducted on a series of cinnamamides with anticonvulsant activities using compa...
Caballero, J (reprint author), Univ Talca, Ctr Bioinformat & Simulac Mol, Fac Ingn & Bioinformat, 2 ...
Three dimensional (3D) quantitative structure-activity relationship studies of 37 B-Raf inhibitors, ...
Selective cyclooxygenase inhibitors have attracted much attention in recent times in the design of n...
The present study describes the implementation of a new three-dimensional quantitative structure-act...
The present study describes the implementation of a new three-dimensional quantitative structure-act...
Our work shows that differdnt compound orientations have different results in Comparative Molecular ...
3D-QSAR studies were conducted on a series of paullones as CDK inhibitors using three-dimensional qu...
Comparative molecular field analysis (CoMFA) studies were conducted on a series of 100 isoniazid der...
Three-dimensional quantitative structure–activity relationship (3D-QSAR) studies were performed for ...
Self-organizing molecular field analysis (SOMFA), a simple three-dimensionalquantitative structure–a...
A comparative molecular field analysis (CoMFA) of phthalazine class of phosphodiesterase IV (PDE IV)...