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AutoDock

AutoDock is a molecular modeling simulation software. It is especially effective for protein-ligand docking. AutoDock 4 is available under the GNU… Expand
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Papers overview

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2017
2017
Arylamine N-acetyltransferases (NATs) are cytosolic enzymes, highly polymorphic, present in both eukaryotes and prokaryotes… Expand
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2015
2015
Docking of various therapeutically important chemical entities to the specific target sites offers a meaningful strategy that may… Expand
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2011
2011
Molecular docking is an important problem of bioinformatics aiming at the prediction of binding poses of molecules. Auto Dock is… Expand
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Highly Cited
2011
Highly Cited
2011
Aromatase is an enzyme that plays a critical role in the development of estrogen receptor positive breast cancer. As aromatase… Expand
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2009
2009
Abstract1,4-Dihydropyridine has been recognized as calcium channel blocker agents. In this research we did computational studies… Expand
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Highly Cited
2008
Highly Cited
2008
Molecular dynamics is an important computational tool to simulate and understand biochemical processes at the atomic level… Expand
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Review
2007
Review
2007
In this paper we present an in situ evaluation of a haptic system, with a representative test population, we aim to determine… Expand
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Highly Cited
2007
Highly Cited
2007
Molecular dynamics simulations are a common and often repeated task in molecular biology. The need for speeding up this treatment… Expand
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2003
2003
The application of a computational approach, based on molecular dynamics (MD) simulations and quantum mechanical-free energy (QM… Expand
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Highly Cited
1998
Highly Cited
1998
A novel and robust automated docking method that predicts the bound conformations of flexible ligands to macromolecular targets… Expand
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