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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… 
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Papers overview

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2017
2017
Molecular Docking Evaluation of Some Natural Phenolic Compounds as Aldose Reductase Inhibitors for Diabetic Complications
The enzyme aldose reductase (AR) is a member of aldoketoreductase super-family which catalyzes the formation of sorbitol from… 
2016
2016
Determination of ligand position in aspartic proteases by correlating tanimoto coefficient and binding affinity with root mean square deviation
The objective of this study was to develop and validate of Structure-Based Virtual Screening (SBVS) protocol which was used to… 
2014
2014
Synthesis, crystal structure, ABTS radical-scavenging activity, antimicrobial and docking studies of some novel quinoline derivatives
Highly Cited
2012
Highly Cited
2012
Predictive modelling of angiotensin converting enzyme inhibitory dipeptides
2011
2011
Molecular Docking on FPGA and GPU Platforms
Molecular docking is an important problem of bioinformatics aiming at the prediction of binding poses of molecules. Auto Dock is… 
2011
2011
Improving Protein Docking Using Sustainable Genetic Algorithms
Computational docking of ligands to protein structures is a key step in identifying potential drug candidates. The docking… 
2010
2010
Computational studies of new 1,4-dihydropyridines containing 4-(5)-chloro-2-ethyl-5-(4)-imidazolyl substituent: QSAR and docking
Abstract1,4-Dihydropyridine has been recognized as calcium channel blocker agents. In this research we did computational studies… 
2010
2010
Porting Autodock to CUDA
This paper is a report on the migration of the molecular docking application, “Autodock” to NVIDIA CUDA. Autodock is a Drug… 
2008
2008
Les médicaments peptidiques : mythe ou réalité ?
Les peptides trouvent de nombreux debouches d’application dans le domaine biotechnologique, parmi lesquels des applications… 
2003
2003
Studying enzyme enantioselectivity using combined ab initio and free energy calculations: α-chymotrypsin and methyl cis- and trans-5-oxo-2-pentylpirrolidine-3-carboxylates
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