Protein Docking Using Spherical Polar Fourier Correlations this paper, we describe the construction of parametric surface skins using real spherical polar basis functions. As the use of such functions for protein s... DW Ritchie,GJL Kemp - 《Proteins Structure Function & Bioinformatics》 被引量: ...
HexServer:anFFT-basedproteindocking serverpoweredbygraphicsprocessors GaryMacindoe 1 ,LazarosMavridis 2 ,VishweshVenkatraman 2 , Marie-DominiqueDevignes 3 andDavidW.Ritchie 2, * 1 DepartmentofComputingScience,LillybankGardens,UniversityofGlasgow,G128QQScotland,UK, ...
ProteinDockingUsingSphericalPolarFourierCorrelations Copyrightc1996-2013DavidW.Ritchie DaveRitchie TeamOrpailleur INRIANancyGrandEst,LORIA 54506Vavdoeuvre-les-Nancy,France i TableofContents 1Introduction...1 1.1WhattheHeckisHex?...1 1.2NewFeaturesin...
The Protein-Ligand interaction plays a significant role in structural based drug designing. In our research work we have taken the Human estrogen receptor and the commercially available drugs against breast cancer. The receptor was docked to the above said drugs and the energy value obtained as ...
ProteinDockingUsingSphericalPolarFourierCorrelations Copyrightc1996-2010DavidW.Ritchie DaveRitchie TeamOrpailleur INRIANancyGrandEst,LORIA 54506Vavdoeuvre-les-Nancy,France i TableofContents 1Introduction...1 1.1WhattheHeckisHex?...1 1.2NewFeaturesin...
The molecular interaction mechanism of protein–ligand for targeted different pathogen protein blocks is uncontrolled phenomena shows potential approach for the present study. Design and development of drug discovery process is highly depends on the structural changes at the binding interfaces. These process...
The target molecule (virus) was taken from Protein data bank. Various softwares were used toAAA RajJ VinnarasiGL RoseRaj, A. A., Vinnarasi, J. & Rose, G.L. (2013). Molecular Docking of some Isatin Schiff Bases Using Hex. World Journal of Pharmacy and Pharmaceutical Sciences, 2(5):...
DNA–proteincomplexesmoleculardockingProteins of the Dps family perform a dual function in bacterial cells. As ferritins, they protect cells from destructive effects of Fe2+ ions, while interacting with DNA they condense the genome in the absence of nutrients. The ability of Dps to self-aggregate...
The Protein- Ligand interaction plays a significant role in structural based drug designing. Chalcones and their derivates have been shown to have potency as anticancer. Chalcone is a flavonoid compound, analogs of this drug molecule were selected from published journals and docked with COX-1 (PDB...