RosettaLigand docking with full ligand and receptor flexibility.
about
Principles and Overview of Sampling Methods for Modeling Macromolecular Structure and DynamicsProtein flexibility in docking and surface mappingComputational methods in drug discoveryExploring the role of receptor flexibility in structure-based drug discoveryComputational design of an endo-1,4- -xylanase ligand binding siteTowards a Pharmacophore for AmyloidComputational Design of Catalytic Dyads and Oxyanion Holes for Ester HydrolysisBiochemical Properties and Crystal Structure of a -Phenylalanine Aminotransferase from Variovorax paradoxusA genetically encoded, high-signal-to-noise maltose sensorComputational redesign of a mononuclear zinc metalloenzyme for organophosphate hydrolysisMolecular Engineering of Organophosphate Hydrolysis Activity from a Weak Promiscuous Lactonase TemplateCrystal structure of the nucleotide-binding domain of mortalin, the mitochondrial Hsp70 chaperoneDimeric Sfh3 has structural changes in its binding pocket that are associated with a dimer-monomer state transformation induced by substrate bindingBCL::Conf: small molecule conformational sampling using a knowledge based rotamer libraryAutomated docking screens: a feasibility studyConformational transitions upon ligand binding: holo-structure prediction from apo conformationsCan the energy gap in the protein-ligand binding energy landscape be used as a descriptor in virtual ligand screening?Assessment and challenges of ligand docking into comparative models of G-protein coupled receptorsFast docking on graphics processing units via Ray-CastingComputational Approaches for Decoding Select Odorant-Olfactory Receptor Interactions Using Mini-Virtual ScreeningGenome Sequence and Transcriptome Analyses of Chrysochromulina tobin: Metabolic Tools for Enhanced Algal Fitness in the Prominent Order Prymnesiales (Haptophyceae)Enhancements to the Rosetta Energy Function Enable Improved Identification of Small Molecules that Inhibit Protein-Protein InteractionsAutoDockFR: Advances in Protein-Ligand Docking with Explicitly Specified Binding Site FlexibilityThe structural basis of substrate recognition by the eukaryotic chaperonin TRiC/CCTThe mitochondrial and chloroplast genomes of the haptophyte Chrysochromulina tobin contain unique repeat structures and gene profilesRosettaScripts: a scripting language interface to the Rosetta macromolecular modeling suiteA microbial sensor for organophosphate hydrolysis exploiting an engineered specificity switch in a transcription factorIs It Reliable to Use Common Molecular Docking Methods for Comparing the Binding Affinities of Enantiomer Pairs for Their Protein Target?ROSETTA3: an object-oriented software suite for the simulation and design of macromoleculesA flexible docking scheme efficiently captures the energetics of glycan-cyanovirin binding.Q-Dock(LHM): Low-resolution refinement for ligand comparative modeling.Prediction of structures of zinc-binding proteins through explicit modeling of metal coordination geometry.PyRosetta: a script-based interface for implementing molecular modeling algorithms using RosettaPractically useful: what the Rosetta protein modeling suite can do for youRosetta and the Design of Ligand Binding Sites.The utility of geometrical and chemical restraint information extracted from predicted ligand-binding sites in protein structure refinementStructural and dynamic determinants of protein-peptide recognition.Exploration of allosteric agonism structure-activity relationships within an acetylene series of metabotropic glutamate receptor 5 (mGlu5) positive allosteric modulators (PAMs): discovery of 5-((3-fluorophenyl)ethynyl)-N-(3-methyloxetan-3-yl)picolinDocking challenge: protein sampling and molecular docking performance.Variational Optimization of an All-Atom Implicit Solvent Force Field to Match Explicit Solvent Simulation Data.
P2860
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P2860
RosettaLigand docking with full ligand and receptor flexibility.
description
2008 nî lūn-bûn
@nan
2008年の論文
@ja
2008年学术文章
@wuu
2008年学术文章
@zh
2008年学术文章
@zh-cn
2008年学术文章
@zh-hans
2008年学术文章
@zh-my
2008年学术文章
@zh-sg
2008年學術文章
@yue
2008年學術文章
@zh-hant
name
RosettaLigand docking with full ligand and receptor flexibility.
@en
RosettaLigand docking with full ligand and receptor flexibility.
@nl
type
label
RosettaLigand docking with full ligand and receptor flexibility.
@en
RosettaLigand docking with full ligand and receptor flexibility.
@nl
prefLabel
RosettaLigand docking with full ligand and receptor flexibility.
@en
RosettaLigand docking with full ligand and receptor flexibility.
@nl
P1476
RosettaLigand docking with full ligand and receptor flexibility.
@en
P2093
Ian W Davis
P304
P356
10.1016/J.JMB.2008.11.010
P407
P50
P577
2008-11-18T00:00:00Z