Contents

Current Computer-Aided Drug Design, Volume 13 - Number 3


Editorial


Research Article

Adsorption of Antifungal Drugs Inside Pristine and Functionalized Fullerenes and Nanotubes: DFT Investigation

, 13(3): 177 - 185

Tomasz Pieńko, Monika, Grudzień, Przemysław Paweł Taciak and Aleksander P. Mazurek


DOI: 10.2174/1573409913666170303112858



Research Article

Pharmacophore and Docking Guided Virtual Screening Study for Discovery of Type I Inhibitors of VEGFR-2 Kinase

, 13(3): 186 - 207

Heena R. Bhojwani and Urmila J. Joshi


DOI: 10.2174/1386207319666161214112536



Research Article

Investigation of Isoindolo[2,1-a]quinoxaline-6-imines as Topoisomerase I Inhibitors with Molecular Modeling Methods

, 13(3): 208 - 221

Balazs Balogh, Anna Carbone, Virginia Spanò, Alessandra Montalbano, Paola Barraja, Stella Cascioferro, Patrizia Diana and Barbara Parrino


DOI: 10.2174/1573409913666170124100334



Research Article

In silico Analysis of AMP-activated Protein Kinase and Ligand-based Virtual Screening for Identification of Novel AMPK Activators

, 13(3): 222 - 233

Ammarah Ghaffar, Sidra Batool, Gohar Mushtaq and Muhammad A. Kamal


DOI: 10.2174/1573409913666170309144722



Molecular Dynamics Simulations of Novel Potential Inhibitors for Penicillin Binding Protein 2B of the Resistant 5204 Strain of Streptococcus pneumoniae

, 13(3): 234 - 248

Suvaiyarasan Suvaithenamudhan and Subbiah Parthasarathy


DOI: 10.2174/1573409913666170301120421



Research Article

Prediction of Activities of BRAF (V600E) Inhibitors by SW-MLR and GA-MLR Methods

, 13(3): 249 - 261

Parinaz Pargolghasemi, Mir Saleh Hoseininezhad-Namin and Aiyoub Parchehbaf Jadid


DOI: 10.2174/1573409913666170303113812




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