AI & ChatGPT searches , social queries for MACROMOLECULAR DOCKING
Search references for MACROMOLECULAR DOCKING. Phrases containing MACROMOLECULAR DOCKING
See searches and references containing MACROMOLECULAR DOCKING!
Search references for MACROMOLECULAR DOCKING. Phrases containing MACROMOLECULAR DOCKING
See searches and references containing MACROMOLECULAR DOCKING!MACROMOLECULAR DOCKING
Computational modeling of molecular interaction
Macromolecular docking is the computational modelling of the quaternary structure of complexes formed by two or more interacting biological macromolecules
Macromolecular_docking
Prediction method in molecular modeling
Macromolecular docking Molecular mechanics Protein structure Protein design Software for molecular mechanics modeling List of protein-ligand docking software
Docking_(molecular)
Large chemical complexes composed of polymers and other macromolecules
In molecular biology, the term macromolecular assembly (MA) refers to massive chemical structures such as viruses and non-biologic nanoparticles, cellular
Macromolecular_assembly
Effect of high concentrations of macromolecules in living cells
The phenomenon of macromolecular crowding alters the properties of molecules in a solution when high concentrations of macromolecules such as proteins
Macromolecular_crowding
BOINC based volunteer computing project researching protein folding
prediction and protein–protein docking prediction, respectively. Rosetta consistently ranks among the foremost docking predictors, and is one of the best
Rosetta@home
Professor (born 1951)
structure prediction, protein function prediction, prediction of macromolecular docking and interactions, network modelling for systems biology and logic-based
Michael_Sternberg
for high-throughput virtual screening in the cloud. Drug design Macromolecular docking Molecular mechanics Molecular modelling Protein structure Protein
LeDock
Prediction by observation and computation
prediction Protein structure prediction software Gene prediction Macromolecular docking Protein–DNA interaction site predictor Two-hybrid screening FastContact
Protein–protein interaction prediction
Protein–protein_interaction_prediction
Software company in Canada
software for computational chemistry, bioinformatics, cheminformatics, docking, pharmacophore searching and molecular simulation. The company's main customer
Chemical_Computing_Group
Study of molecular structures in biology
molecules at the same time. These methods include: Mass spectrometry Macromolecular crystallography Neutron diffraction Proteolysis Nuclear magnetic resonance
Structural_biology
The Cluster of Excellence Frankfurt "Macromolecular Complexes" (CEF) was established in 2006 by Goethe University Frankfurt together with the Max Planck
Cluster of Excellence Frankfurt Macromolecular Complexes
Cluster_of_Excellence_Frankfurt_Macromolecular_Complexes
Molecular dynamics software
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
CHARMM
Technique in computational chemistry
peptide prediction, homology modeling and loop simulations, flexible macromolecular docking and energy refinement. However the complexity of problems related
Internal_Coordinate_Mechanics
object-oriented programming library for manipulating and analyzing macromolecular structures, protein complexes and molecular dynamics trajectories A
Biskit
Bioinformatics subfield
such as proteins, RNA, and DNA. It deals with generalizations about macromolecular 3D structures such as comparisons of overall folds and local motifs
Structural_bioinformatics
and opened in a molecular docking software. There are many programs that can facilitate molecular docking such as AutoDock, DOCK, FlexX, HYDRO, LIGPLOT,
Molecular Operating Environment
Molecular_Operating_Environment
Branch of bioinformatics
Computational docking plays a vital role in structural biology, with software providing a user-friendly web platform for modeling various macromolecular interactions
Biological_data_visualization
Branch of chemistry
necessarily referring to quantum mechanics. Examples are molecular docking, protein-protein docking, drug design, combinatorial chemistry. The fitting of shape
Theoretical_chemistry
originally in the scientific community, including Chemistry at Harvard Macromolecular Mechanics (CHARMM), MODELLER, DelPhi, ZDOCK, DMol3, and more. Discovery
Discovery_Studio
Computational technique of discovering new drugs
techniques include molecular docking, structure-based pharmacophore modelling, and molecular dynamics simulations. Molecular docking is the most used structure-based
Virtual_screening
Biomolecule consisting of chains of amino acid residues
synchrotrons. Since then, cryo-electron microscopy (cryo-EM) of large macromolecular assemblies has been developed. Cryo-EM uses protein samples that are
Protein
Molecular biophysicist, structural biologist
sparsely populated states of macromolecules, which are important in macromolecular interactions but invisible to conventional structural and biophysical
G._Marius_Clore
Type of stable macromolecular complex
magnetic resonance. Increasingly the theoretical option of protein–protein docking is also becoming available. One method that is commonly used for identifying
Protein_complex
American structural biologist and scientific illustrator
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
David_Goodsell
Chemotherapy medication
Doxorubicin interacts with DNA by intercalation and inhibition of macromolecular biosynthesis. This inhibits the progression of topoisomerase II, an
Doxorubicin
Species of flowering plants in the cabbage family Brassicaceae
Lossinsky, A. S.; Shivers, R. R. (2004). "Structural pathways for macromolecular and cellular transport across the blood-brain barrier during inflammatory
Horseradish
Type of biological prediction
Richardson DC (January 2010). "MolProbity: all-atom structure validation for macromolecular crystallography". Acta Crystallographica. Section D, Biological Crystallography
Protein_structure_prediction
investigates protein structure, assembly, and interactions within a larger macromolecular assembly. It was originally coined in reference to the use of limited
Protein_footprinting
is commonly encountered with structure determination nevertheless. Macromolecular structures can be determined from protein crystal using a variety of
Protein_crystallization
Proteins that bind with DNA
interactions can be modulated using stimuli like ionic strength of the buffer, macromolecular crowding, temperature, pH and electric field. This can lead to reversible
DNA-binding_protein
Computational analysis of large, complex sets of biological data
Peraro M (2014). "New Strategies for Integrative Dynamic Modeling of Macromolecular Assembly". In Karabencheva-Christova T (ed.). Biomolecular Modelling
Bioinformatics
Scientific computer simulation method
Grubmüller, H. (1995). "Predicting slow structural transitions in macromolecular systems: Conformational flooding". Phys. Rev. E. 52 (3): 2893–2906.
Metadynamics
compiles resources important for virtual screening as QSAR techniques, docking QSAR, cheminformatics, and siRNA/miRNA. Drug design provides resources
Computational Resource for Drug Discovery
Computational_Resource_for_Drug_Discovery
Model of enzyme kinetics
ISBN 978-0-387-95223-9. Zhou, H.X.; Rivas, G.; Minton, A.P. (2008). "Macromolecular crowding and confinement: biochemical, biophysical, and potential physiological
Michaelis–Menten_kinetics
Class of membrane-less organelles within biological cells
Walter H, Brooks DE (March 1995). "Phase separation in cytoplasm, due to macromolecular crowding, is the basis for microcompartmentation". FEBS Letters. 361
Biomolecular_condensate
Type of drug
and allosteric sites of enzymes as well as the interfaces of their macromolecular complexes. An efficient structure- and concentration-dependent transcription
Topological_drugs
Molecule that blocks enzyme activity
set of substances that range in size from organic small molecules to macromolecular proteins. Small molecule inhibitors include essential primary metabolites
Enzyme_inhibitor
Molecular biology techniques
for rapid detection and quantitative characterization of reversible macromolecular hetero-associations in solution". Analytical Biochemistry. 346 (1):
Methods to investigate protein–protein interactions
Methods_to_investigate_protein–protein_interactions
through indirect mechanisms. In regard to docking regions on exosites, an example of this is the prothrombin docking to various exosites. This process involves
Exosite
Protein-coding gene in the species Homo sapiens
1083/jcb.114.1.169. PMC 2289063. PMID 2050741. Buss F, Stewart M (1995). "Macromolecular interactions in the nucleoporin p62 complex of rat nuclear pores: binding
Nucleoporin_54
Concept on molecular modeling
and prediction of the binding affinity of small-molecule ligands to macromolecular receptors". Angewandte Chemie. 41 (15): 2644–76. doi:10
Force_field_(chemistry)
Protein-coding gene in the species Homo sapiens
Motoike H, D'Armiento J, Marks AR, Kass RS (Jan 2002). "Requirement of a macromolecular signaling complex for beta adrenergic receptor modulation of the KCNQ1-KCNE1
AKAP9
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
List of molecular graphics systems
List_of_molecular_graphics_systems
Protein-coding gene in the species Homo sapiens
the ACTR1A gene. This gene encodes a 42.6 kD subunit of dynactin, a macromolecular complex consisting of 10-11 subunits ranging in size from 22 to 150
ACTR1A
Protein-coding gene in the species Homo sapiens
the DCTN3 gene. This gene encodes the smallest subunit of dynactin, a macromolecular complex consisting of 10 subunits ranging in size from 22 to 150 kD
DCTN3
Macromolecular complex
model based on kinetic analysis and optical microscopy. Recent computer docking, independently confirmed by EM data, favors a side-branching model. ARPC2
Arp2/3_complex
Protein-coding gene in humans
mediate interaction with CK1δ appropriate docking motifs need to be present in the respective proteins. Docking motif Phe-X-X-X-Phe has been identified
CSNK1D
Physical interactions and constructions between multiple proteins
of protein partners, named "co-complex" methods. Homo-oligomers are macromolecular complexes constituted by only one type of protein subunit. Protein subunits
Protein–protein_interaction
Gene of the species Homo sapiens
by the DCTN2 gene. This gene encodes a 50-kD subunit of dynactin, a macromolecular complex consisting of 23 subunits (11 individual proteins ranging in
DCTN2
Biological membrane structure
Sawa T, Konno T (July 2001). "Mechanism of tumor-targeted delivery of macromolecular drugs, including the EPR effect in solid tumor and clinical overview
Lipid_bilayer
Protein-coding gene in the species Homo sapiens
1093/oxfordjournals.jbchem.a124054. PMID 8486610. Buss F, Stewart M (1995). "Macromolecular interactions in the nucleoporin p62 complex of rat nuclear pores: binding
Nuclear_pore_glycoprotein_p62
Method of analyzing transmission electron microscopy imagery
fits Frank, Joachim (2006). Three-dimensional electron microscopy of macromolecular assemblies: visualization of biological molecules in their native state
Single_particle_analysis
this approach contained two important steps: 1. administration of a macromolecular targeting vector (usually antibody-based), and 2. a small radiolabelled
Pretargeting_(imaging)
Protein-coding gene in the species Homo sapiens
the DCTN1 gene. This gene encodes the largest subunit of dynactin, a macromolecular complex consisting of 23 subunits (11 individual proteins ranging in
DCTN1
MACROMOLECULAR DOCKING
MACROMOLECULAR DOCKING
MACROMOLECULAR DOCKING
MACROMOLECULAR DOCKING
MACROMOLECULAR DOCKING
MACROMOLECULAR DOCKING
MACROMOLECULAR DOCKING
MACROMOLECULAR DOCKING
MACROMOLECULAR DOCKING