In-silico Screening using Flexible Ligand Binding Pockets: A Molecular Dynamics-based Approach Dakshanamurthy SivanesanRajendram V RajnarayananNagarajan Pattabiraman OriginalPaper Pages: 213 - 228
Quantitative Structure–activity Relationship Analysis of Pyridinone HIV-1 Reverse Transcriptase Inhibitors using the k Nearest Neighbor Method and QSAR-based Database Mining Jose Luis Medina-FrancoAlexander GolbraikhAlexander Tropsha OriginalPaper Pages: 229 - 242
Computational Studies and Drug Design for HIV-1 Reverse Transcriptase Inhibitors of 3′,4′-di-O-(S)-camphanoyl-(+)-cis-Khellactone (DCK) Analogs Hai-feng ChenBo-tao FanGraham Allaway OriginalPaper Pages: 243 - 258
An Effective Simulation of Aqueous Micellar Aggregates by Computational Models Guido AngeliniGiorgio CerichelliClaudio Villani OriginalPaper Pages: 259 - 269
Association of Cytochrome P450 Enzymes is a Determining Factor in their Catalytic Activity Eszter HazaiZsolt BikádiDavid Kupfer OriginalPaper Pages: 271 - 285