Novel allosteric sites on Ras for lead generation - Wikidata - awgldk - TriplyDB

Novel allosteric sites on Ras for lead generation

Novel allosteric sites on Ras for lead generation

http://www.wikidata.org/entity/Q27317333

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The structure of apo ArnA features an unexpected central binding pocket and provides an explanation for enzymatic cooperativity Identification of potential small molecule binding pockets on Rho family GTPases Rational design of small-molecule stabilizers of spermine synthase dimer by virtual screening and free energy-based approach pMD-Membrane: A Method for Ligand Binding Site Identification in Membrane-Bound Proteins NMR Characterization of Information Flow and Allosteric Communities in the MAP Kinase p38γ Functional alterations due to amino acid changes and evolutionary comparative analysis of ARPKD and ADPKD genes Intrinsic K-Ras dynamics: A novel molecular dynamics data analysis method shows causality between residue pair motions Molecular dynamics simulations and drug discovery The role of conserved waters in conformational transitions of Q61H K-ras.Mechanism of the exchange reaction in HRAS from multiscale modeling In Silico Screening of Mutated K-Ras Inhibitors from Malaysian Typhonium flagelliforme for Non-Small Cell Lung Cancer.Equilibrium fluctuations of a single folded protein reveal a multitude of potential cryptic allosteric sites.POVME 2.0: An Enhanced Tool for Determining Pocket Shape and Volume Characteristics Isoform selectivity of adenylyl cyclase inhibitors: characterization of known and novel compounds Mapping the structural and dynamical features of multiple p53 DNA binding domains: insights into loop 1 intrinsic dynamics.Discovery of multiple hidden allosteric sites by combining Markov state models and experiments Drugging the undruggable RAS: Mission possible?Small-molecule modulation of Ras signaling.Binding hotspots on K-ras: consensus ligand binding sites and other reactive regions from probe-based molecular dynamics analysis.Mapping the Conformation Space of Wildtype and Mutant H-Ras with a Memetic, Cellular, and Multiscale Evolutionary Algorithm.Computing energy landscape maps and structural excursions of proteins Overview of simulation studies on the enzymatic activity and conformational dynamics of the GTPase Ras.Inhibition of prenylated KRAS in a lipid environment Andrographolide derivatives inhibit guanine nucleotide exchange and abrogate oncogenic Ras function.KRAS - An Evolving Cancer Target Lessons from computer simulations of Ras proteins in solution and in membrane LIBSA--a method for the determination of ligand-binding preference to allosteric sites on receptor ensembles Harnessing allostery: a novel approach to drug discovery.Allosteric modulation of Ras and the PI3K/AKT/mTOR pathway: emerging therapeutic opportunities.Computational solvent mapping in structure-based drug design.Understanding the challenges of protein flexibility in drug design.Direct Modulation of Small GTPase Activity and Function.Computational allosteric ligand binding site identification on Ras proteins.Distinct dynamics and interaction patterns in H- and K-Ras oncogenic P-loop mutants.Discovery of Novel Allosteric Eg5 Inhibitors Through Structure-Based Virtual Screening.Drugging Ras GTPase: a comprehensive mechanistic and signaling structural view.The RAS-Effector Interaction as a Drug Target.Intrinsic protein disorder in oncogenic KRAS signaling.State-of-the-art and dissemination of computational tools for drug-design purposes: a survey among Italian academics and industrial institutions.Discovery of Rab1 binding sites using an ensemble of clustering methods.

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P2860

Novel allosteric sites on Ras for lead generation

http://www.wikidata.org/entity/Q27317333

description

2011 nî lūn-bûn

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2011 թուականին հրատարակուած գիտական յօդուած

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2011 թվականին հրատարակված գիտական հոդված

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2011年の論文

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2011年学术文章

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2011年学术文章

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2011年学术文章

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2011年学术文章

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2011年学术文章

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2011年學術文章

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name

Novel allosteric sites on Ras for lead generation

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Novel allosteric sites on Ras for lead generation

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Novel allosteric sites on Ras for lead generation

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type

label

Novel allosteric sites on Ras for lead generation

@ast

Novel allosteric sites on Ras for lead generation

@en

Novel allosteric sites on Ras for lead generation

@nl

prefLabel

Novel allosteric sites on Ras for lead generation

@ast

Novel allosteric sites on Ras for lead generation

@en

Novel allosteric sites on Ras for lead generation

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JOURNAL.PONE.0025711

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Novel allosteric sites on Ras for lead generation

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P2093

Alemayehu A Gorfe

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

Harrison J Hocker

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

Jaqueline Sayyah

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Joan Heller Brown

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

Suryani Lukman

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

P2860

Preference of small molecules for local minimum conformations when binding to proteins

A novel switch region regulates H-ras membrane orientation and signal output

The distinct conformational dynamics of K-Ras and H-Ras A59G

Ras conformational switching: simulating nucleotide-dependent conformational transitions with accelerated molecular dynamics

Discovery of a potent, selective protein tyrosine phosphatase 1B inhibitor using a linked-fragment strategy

A Coupled Equilibrium Shift Mechanism in Calmodulin-Mediated Signal Transduction

A restricted spectrum of NRAS mutations causes Noonan syndrome

Allosteric modulation of Ras positions Q61 for a direct role in catalysis

Stabilizing a weak binding state for effectors in the human ras protein by cyclen complexes

PDB2PQR: an automated pipeline for the setup of Poisson-Boltzmann electrostatics calculations

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scholarly article

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10.1371/JOURNAL.PONE.0025711

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10

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6

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J. Andrew McCammon

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2011-01-01T00:00:00Z

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51761044

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22046245

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3201956

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