Estimation of Binding Affinities for Celecoxib Analogues with COX-2 via Monte Carlo-Extended Linear Response

Estimation of Binding Affinities for Celecoxib Analogues with COX-2 via Monte Carlo-Extended Linear Response General Model for Estimation of the Inhibition of Protein Kinases Using Monte Carlo Simulations Prediction of Activity for Nonnucleoside Inhibitors with HIV-1 Reverse Transcriptase Based on Monte Carlo Simulations Prediction of Binding Affinities for TIBO Inhibitors of HIV-1 Reverse Transcriptase Using Monte Carlo Simulations in a Linear Response Method Estimation of Binding Affinities for HEPT and Nevirapine Analogues with HIV-1 Reverse Transcriptase via Monte Carlo Simulations Prediction of drug solubility from Monte Carlo simulations Discovery of Kinase Inhibitors by High-Throughput Docking and Scoring Based on a Transferable Linear Interaction Energy Model Three-Dimensional Quantitative Structure−Activity Relationships of Cyclo-oxygenase-2 (COX-2) Inhibitors: A Comparative Molecular Field Analysis Novel Cyclooxygenase-1 Inhibitors Discovered Using Affinity Fingerprints Rationale for the observed COX-2/COX-1 selectivity of celecoxib from Monte Carlo simulations