Allosteric networks in thrombin distinguish procoagulant vs. anticoagulant activities. - Test2 - elhamkhani - TriplyDB

Allosteric networks in thrombin distinguish procoagulant vs. anticoagulant activities.

Allosteric networks in thrombin distinguish procoagulant vs. anticoagulant activities.

http://www.wikidata.org/entity/Q34314615

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Biophysical and computational methods to analyze amino acid interaction networks in proteins Exploring the role of receptor flexibility in structure-based drug discovery Structure and dynamics of molecular networks: a novel paradigm of drug discovery: a comprehensive review Gaussian Accelerated Molecular Dynamics: Unconstrained Enhanced Sampling and Free Energy Calculation Using modern tools to probe the structure-function relationship of fatty acid synthases Targeting the GPIbα binding site of thrombin to simultaneously induce dual anticoagulant and antiplatelet effects Correlated motions and residual frustration in thrombin.Emerging Computational Methods for the Rational Discovery of Allosteric Drugs.Allosteric regulation of the Hsp90 dynamics and stability by client recruiter cochaperones: protein structure network modeling Computational modeling of allosteric regulation in the hsp90 chaperones: a statistical ensemble analysis of protein structure networks and allosteric communications.Kinesin-5 allosteric inhibitors uncouple the dynamics of nucleotide, microtubule, and neck-linker binding sites.Structure-based network analysis of activation mechanisms in the ErbB family of receptor tyrosine kinases: the regulatory spine residues are global mediators of structural stability and allosteric interactions.Accelerated molecular dynamics simulations of ligand binding to a muscarinic G-protein-coupled receptor.Detecting Allosteric Networks Using Molecular Dynamics Simulation Improved Reweighting of Accelerated Molecular Dynamics Simulations for Free Energy Calculation.Thrombomodulin Binding Selects the Catalytically Active Form of Thrombin Identifying Allosteric Hotspots with Dynamics: Application to Inter- and Intra-species Conservation A mechanistic understanding of allosteric immune escape pathways in the HIV-1 envelope glycoprotein.Two pathways mediate interdomain allosteric regulation in pin1 NbIT--a new information theory-based analysis of allosteric mechanisms reveals residues that underlie function in the leucine transporter LeuT.Accelerated molecular dynamics simulations of protein folding.Computational Advances for the Development of Allosteric Modulators and Bitopic Ligands in G Protein-Coupled Receptors Dabigatran and Argatroban Diametrically Modulate Thrombin Exosite Function Allosteric Inhibition of Factor XIIIa. Non-Saccharide Glycosaminoglycan Mimetics, but Not Glycosaminoglycans, Exhibit Promising Inhibition Profile.AIM for Allostery: Using the Ising Model to Understand Information Processing and Transmission in Allosteric Biomolecular Systems.Ligand binding to anion-binding exosites regulates conformational properties of thrombin.Dynamic Coupling and Allosteric Networks in the α Subunit of Heterotrimeric G Proteins.Dynamical network of residue-residue contacts reveals coupled allosteric effects in recognition, catalysis, and mutation.Computational approaches to detect allosteric pathways in transmembrane molecular machines.Activation and dynamic network of the M2 muscarinic receptor.Protein Allostery and Conformational Dynamics.Mapping the structural and dynamical features of kinesin motor domains Unidirectional allostery in the regulatory subunit RIα facilitates efficient deactivation of protein kinase A.The spatial structure of cell signaling systems.NMR reveals a dynamic allosteric pathway in thrombin.Weighted Implementation of Suboptimal Paths (WISP): An Optimized Algorithm and Tool for Dynamical Network Analysis.Free energy landscape of G-protein coupled receptors, explored by accelerated molecular dynamics General trends of dihedral conformational transitions in a globular protein.Local packing modulates diversity of iron pathways and cooperative behavior in eukaryotic and prokaryotic ferritins.Measuring dynamic and kinetic information in the previously inaccessible supra-τ(c) window of nanoseconds to microseconds by solution NMR spectroscopy.

P2860

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P2860

Allosteric networks in thrombin distinguish procoagulant vs. anticoagulant activities.

http://www.wikidata.org/entity/Q34314615

description

2012 nî lūn-bûn

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2012 թուականի Նոյեմբերին հրատարակուած գիտական յօդուած

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2012 թվականի նոյեմբերին հրատարակված գիտական հոդված

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2012年の論文

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2012年論文

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2012年論文

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2012年論文

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2012年论文

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name

Allosteric networks in thrombin distinguish procoagulant vs. anticoagulant activities.

@ast

Allosteric networks in thrombin distinguish procoagulant vs. anticoagulant activities.

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Allosteric networks in thrombin distinguish procoagulant vs. anticoagulant activities.

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type

label

Allosteric networks in thrombin distinguish procoagulant vs. anticoagulant activities.

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Allosteric networks in thrombin distinguish procoagulant vs. anticoagulant activities.

@en

Allosteric networks in thrombin distinguish procoagulant vs. anticoagulant activities.

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prefLabel

Allosteric networks in thrombin distinguish procoagulant vs. anticoagulant activities.

@ast

Allosteric networks in thrombin distinguish procoagulant vs. anticoagulant activities.

@en

Allosteric networks in thrombin distinguish procoagulant vs. anticoagulant activities.

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PNAS.1218414109

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Proceedings of the National Academy of Sciences of the United States of America

P1476

Allosteric networks in thrombin distinguish procoagulant vs. anticoagulant activities.

@en

P2093

Brian Fuglestad

http://www.w3.org/2001/XMLSchema#string

Elizabeth A Komives

http://www.w3.org/2001/XMLSchema#string

Paul M Gasper

http://www.w3.org/2001/XMLSchema#string

Phineus R L Markwick

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P2860

Comparison of simple potential functions for simulating liquid water

Structural basis for the anticoagulant activity of the thrombin-thrombomodulin complex

The refined 1.9 A crystal structure of human alpha-thrombin: interaction with D-Phe-Pro-Arg chloromethylketone and significance of the Tyr-Pro-Pro-Trp insertion segment

Comparison of multiple Amber force fields and development of improved protein backbone parameters

The dynamic structure of thrombin in solution

A 500 ps molecular dynamics simulation study of interleukin-1 beta in water. Correlation with nuclear magnetic resonance spectroscopy and crystallography.

Allosteric mechanisms of signal transduction.

Studying functional dynamics in bio-molecules using accelerated molecular dynamics.

Allosteric pathways in imidazole glycerol phosphate synthase.

Exploring residue component contributions to dynamical network models of allostery

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21216-21222

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scholarly article

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10.1073/PNAS.1218414109

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52

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109

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J. Andrew McCammon

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2012-11-28T00:00:00Z

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23197839

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anticoagulation

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3535651

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