Portions of the front and rear walls of the housing may be spaced apart respectively from the front and rear external surfaces of the insulating body to form first and second docking slots in the assembly space. The front wall of the housing may include front docking holes in communication ...
AlphaFold can predict the structures of monomeric and multimeric proteins with high accuracy but has a limit on the number of chains and residues it can fold. Here we show that a combination of AlphaFold and all-atom symmetric docking simulations enables
MoleculardockingguidedstructurebaseddesignofsymmetricalN,N0-disubstitutedurea/thioureaasHIV-1gp120–CD4bindinginhibitorsSreeKanthSivan,RadhikaVangala,VijjulathaManga⇑MolecularModelingandMedicinalChemistryGroup,DepartmentofChemistry,NizamCollege,Hyderabad500001,IndiaarticleinfoArticlehistory:Received14February2013Revised16Ma...
Accurate prediction of protein assembly structure by combining AlphaFold and symmetrical dockingdoi:10.1038/s41467-023-43681-6AlphaFold can predict the structures of monomeric and multimeric proteins with high accuracy but has a limit on the number of chains and residues it can fol...
MOLECULAR dockingMOLAR conductivityLIGANDS (Chemistry)METAL complexesPOLYAMINESTo synthesize new symmetrical macroacyclic Schiff base ligands (L1 and L2), polyamine (A) was condensed with 2-formylpyridine and salicylaldehyde. Furthermore, Ni(ClO4)2.6H2O and Zn(ClO4)2.6H2O in methanol were reacted ...
Sivan, SK, Vangala, R, Manga, V (2013) Molecular docking guided structure based design of symmetrical N, N'-disubstituted urea/thiourea as HIV-1 gp120–CD4 binding inhibitors. Bioorg Med Chem 21: pp. 4591-9Sivan SK, Vangala R, Manga V. Molecular docking guided structure based design ...
Sivan S K, Vangala R and Manga V 2013 Molecular docking guided structure based design of symmetrical N,N'-disubstituted urea/thiourea as HIV-1 gp120-CD4 binding inhibitors. Bioorg. Med. Chem. 21 4591-9Sivan SK, Vangala R, Manga V. Molecular docking guided structure based design of ...
In this paper, a model-based visual servoing strategy with dual cameras is proposed for a circular symmetrical target with large displacement. The automatic docking system is composed of the fast-moving stage and the position-based visual servoing (PBVS) control stage, which enables a fast, ...
Solid Phase Synthesis, DFT Calculations, Molecular Docking, and Biological Studies of Symmetrical N2,N4,N6-Trisubstituted-1,3,5-triazinesdoi:10.1021/acsomega.4c01980A diversity-oriented, multicomponent convergent synthesis of symmetrical triazines through a one-pot protocol is presented in this ...
molecular dockingnucleophilic aromatic substitutionperfluoroterphenylPentafluoroaryl analogues have been found to exhibit para specific nucleophilic aromatic substitution (SNAr). Herein, we describe the use of SNAr chemistry to create luminous perfluorinated symmetrical terphenyls. Both of SNAr chemistry and ...