文章名稱引用次數

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• Design and development of novel focal adhesion kinase (FAK) inhibitors using Monte Carlo method with index of ideality of correlation to validate QSAR20
• In silico design of diacylglycerol acyltransferase-1 (DGAT1) inhibitors based on SMILES descriptors using Monte-Carlo method14
• Prediction of the adsorption coefficients of some aromatic compounds on multi-wall carbon nanotubes by the Monte Carlo method11
• Structural exploration of hydroxyethylamines as HIV-1 protease inhibitors: new features identified10
• Molecular docking revealed the binding of nucleotide/side inhibitors to Zika viral polymerase solved structures9
• Development of classification models for predicting chronic toxicity of chemicals to Daphnia magna and Pseudokirchneriella subcapitata8
• Finding the structural requirements of diverse HIV-1 protease inhibitors using multiple QSAR modelling for lead identification8
• Molecular modelling studies on adamantane-based Ebola virus GP-1 inhibitors using docking, pharmacophore and 3D-QSAR8
• Idealization of correlations between optimal simplified molecular input-line entry system-based descriptors and skin sensitization8