Macromolecular docking is the computational modelling of the quaternary structure of complexes formed by two or more interacting biological macromolecules...
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Macromolecular docking Molecular mechanics Protein structure Protein design Software for molecular mechanics modeling List of protein-ligand docking software...
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The phenomenon of macromolecular crowding alters the properties of molecules in a solution when high concentrations of macromolecules such as proteins...
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In molecular biology, the term macromolecular assembly (MA) refers to massive chemical structures such as viruses and non-biologic nanoparticles, cellular...
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for high-throughput virtual screening in the cloud. Drug design Macromolecular docking Molecular mechanics Molecular modelling Protein structure Protein...
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prediction Protein structure prediction software Gene prediction Macromolecular docking Protein–DNA interaction site predictor Two-hybrid screening FastContact...
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CHARMM (redirect from Chemistry at Harvard Macromolecular Mechanics)
Chemistry at Harvard Macromolecular Mechanics (CHARMM) is the name of a widely used set of force fields for molecular dynamics, and the name for the molecular...
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Rosetta@home (section RosettaDock)
prediction and protein–protein docking prediction, respectively. Rosetta consistently ranks among the foremost docking predictors, and is one of the best...
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peptide prediction, homology modeling and loop simulations, flexible macromolecular docking and energy refinement. However the complexity of problems related...
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structure prediction, protein function prediction, prediction of macromolecular docking and interactions, network modelling for systems biology and logic-based...
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Structural bioinformatics (section Molecular docking)
such as proteins, RNA, and DNA. It deals with generalizations about macromolecular 3D structures such as comparisons of overall folds and local motifs...
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software for computational chemistry, bioinformatics, cheminformatics, docking, pharmacophore searching and molecular simulation. The company's main customer...
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and opened in a molecular docking software. There are many programs that can facilitate molecular docking such as AutoDock, DOCK, FlexX, HYDRO, LIGPLOT,...
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The Cluster of Excellence Frankfurt "Macromolecular Complexes" (CEF) was established in 2006 by Goethe University Frankfurt together with the Max Planck...
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techniques include molecular docking, structure-based pharmacophore prediction, and molecular dynamics simulations. Molecular docking is the most used structure-based...
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necessarily referring to quantum mechanics. Examples are molecular docking, protein-protein docking, drug design, combinatorial chemistry. The fitting of shape...
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object-oriented programming library for manipulating and analyzing macromolecular structures, protein complexes and molecular dynamics trajectories A...
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Biological data visualization (section Macromolecular)
Computational docking plays a vital role in structural biology, with software providing a user-friendly web platform for modeling various macromolecular interactions...
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Lossinsky, A. S.; Shivers, R. R. (2004). "Structural pathways for macromolecular and cellular transport across the blood-brain barrier during inflammatory...
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synchrotrons. Since then, cryo-electron microscopy (cryo-EM) of large macromolecular assemblies has been developed. Cryo-EM uses protein samples that are...
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for rapid detection and quantitative characterization of reversible macromolecular hetero-associations in solution". Analytical Biochemistry. 346 (1):...
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Peraro M (2014). "New Strategies for Integrative Dynamic Modeling of Macromolecular Assembly". In Karabencheva-Christova T (ed.). Biomolecular Modelling...
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design. In particular he is a developer of AutoDock, the most widely-used program used for molecular docking. His main research focus areas are HIV drug...
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interactions can be modulated using stimuli like ionic strength of the buffer, macromolecular crowding, temperature, pH and electric field. This can lead to reversible...
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magnetic resonance. Increasingly the theoretical option of protein–protein docking is also becoming available. One method that is commonly used for identifying...
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Grubmüller, H. (1995). "Predicting slow structural transitions in macromolecular systems: Conformational flooding". Phys. Rev. E. 52 (3): 2893–2906....
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Jossinet F, Laskowski RA, Nilges M, et al. (March 2010). "Visualization of macromolecular structures". Nature Methods. 7 (3 Suppl): S42-55. doi:10.1038/nmeth...
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Richardson DC (January 2010). "MolProbity: all-atom structure validation for macromolecular crystallography". Acta Crystallographica. Section D, Biological Crystallography...
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Doxorubicin interacts with DNA by intercalation and inhibition of macromolecular biosynthesis. This inhibits the progression of topoisomerase II, an...
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Sawa T, Konno T (July 2001). "Mechanism of tumor-targeted delivery of macromolecular drugs, including the EPR effect in solid tumor and clinical overview...
81 KB (9,779 words) - 13:40, 28 May 2024