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Arylamine N-acetyltransferases (NATs) are cytosolic enzymes, highly polymorphic, present in both eukaryotes and prokaryotes… Expand Docking of various therapeutically important chemical entities to the specific target sites offers a meaningful strategy that may… Expand Molecular docking is an important problem of bioinformatics aiming at the prediction of binding poses of molecules. Auto Dock is… Expand Aromatase is an enzyme that plays a critical role in the development of estrogen receptor positive breast cancer. As aromatase… Expand Abstract1,4-Dihydropyridine has been recognized as calcium channel blocker agents. In this research we did computational studies… Expand Molecular dynamics is an important computational tool to simulate and understand biochemical processes at the atomic level… Expand In this paper we present an in situ evaluation of a haptic system, with a representative test population, we aim to determine… Expand Molecular dynamics simulations are a common and often repeated task in molecular biology. The need for speeding up this treatment… Expand The application of a computational approach, based on molecular dynamics (MD) simulations and quantum mechanical-free energy (QM… Expand A novel and robust automated docking method that predicts the bound conformations of flexible ligands to macromolecular targets… Expand