Computational Biology And Chemistry

A class imbalance-aware Relief algorithm for the classification of tumors using microarray gene expression data

Combination of pharmacophore modeling and 3D-QSAR analysis of potential glyoxalase-I inhibitors as anticancer agents

The potential peptides against angiotensin-I converting enzyme through a virtual tripeptide-constructing library

A Computational workflow for the identification of the potent inhibitor of type II secretion system traffic ATPase of Pseudomonas aeruginosa

Synthesis, biological evaluation and molecular dynamics studies of 4-triazole clubbed Mannich bases

Transcriptome profilling analysis characterized the gene expression patterns responded to combined drought and heat stresses in soybean

Revelation of enzyme activity of mutant pyrazinamidases from Mycobacterium tuberculosis upon binding with various metals using quantum mechanical approach

Predictive biomarkers of colorectal cancer

Synthesis, biological evaluation, and computational studies of novel fused six-membered O-containing heterocycles as potential acetylcholinesterase inhibitors

CoMFA, CoMSIA, Topomer CoMFA, HQSAR, molecular docking and molecular dynamics simulations study of triazine morpholino derivatives as mTOR inhibitors for the treatment of breast cancer