Discover Community Create You

Loading publication...

Noodle always counts identifier-free feature events for service operation. With your permission, Google Analytics can also estimate audience and engagement. Search text, publication identifiers, cookies, IP addresses and browser fingerprints are never included in Noodle's first-party event counters.

Privacy details

Article

Identification of functional substates of KRas during GTP hydrolysis with enhanced sampling simulations.

Physical chemistry chemical physics : PCCP - 30 Mar 2022

Zeng Juan, Chen Jian, Xia Fei, Cui Qiang, Deng Xianming, Xu Xin

Abstract excerpt

As the hub of major signaling pathways, Ras proteins are implicated in 19% of tumor-caused cancers due to perturbations in their conformational and/or catalytic properties. Despite numerous studies, the functions of the conformational substates for the most important isoform, KRas, remain elusive. In this work, we perform an extensive simulation analysis on the conformational landscape of KRas in its various...

Read the complete abstract on PubMed

Topics

Share this publication in a Topic to start or enrich a Post.

Share to ras Proteins
Share to Binding Sites
Share to Guanosine Triphosphate

Methodology Data sources Editorial policy Privacy About Contact Helena Bioinformatics

Share to Hydrolysis

Share to Mutation

Source

Open in PubMed Open full text

Identifiers

PMID: 35297922
DOI: 10.1039/d2cp00274d
PMCID: PMC8972078

Provenance

PubMed metadata and Literature Corpus relationships. Corpus snapshot updated 3 Sept 2026.

Related research

Semantic proximity does not establish scientific evidence.

Research trail→

Click a neighbor to travelStep 1 · 12 closest

Identification of functional substates of KRas during GTP hydrolysis with enhanced sampling simulations.PMID 35297922Read ↗

Discovering and targeting dynamic drugging pockets of the oncogene KRAS-G12DSemantic proximity Read ↗

Structure-Based Discovery of Active Pan-KRas Inhibitors Targeting G12D Mutants by Enhanced Sampling Simulations.Semantic proximity Read ↗

Discovering and Targeting Dynamic Drugging Pockets of Oncogenic Proteins: The Role of Magnesium in Conformational Changes of the G12D Mutated Kirsten Rat Sarcoma-Guanosine Diphosphate Complex.Semantic proximity Read ↗

Elucidating conformational dynamics of GDP/GTP-KRAS complexes caused by mutations from the switch domain I through Gaussian accelerated molecular dynamics simulations.Semantic proximity Read ↗

The Structural Basis of Oncogenic Mutations G12, G13 and Q61 in Small GTPase K-Ras4B.Semantic proximity Read ↗

Path Sampling Simulations Reveal How the Q61L Mutation Alters the Dynamics of KRas.Semantic proximity Read ↗

Beyond Structural Bioinformatics for Genomics with Dynamics Characterization of an Expanded KRAS Mutational LandscapeSemantic proximity Read ↗

Impacts of Mutations in the P-Loop on Conformational Alterations of KRAS Investigated with Gaussian Accelerated Molecular Dynamics Simulations.Semantic proximity Read ↗

Mechanisms of isoform-specific residue influence on GTP-bound HRas, KRas, and NRas.Semantic proximity Read ↗

NMR-Chemical-Shift-Driven Protocol Reveals the Cofactor-Bound, Complete Structure of Dynamic Intermediates of the Catalytic Cycle of Oncogenic KRAS G12C Protein and the Significance of the Mg2+ Ion.Semantic proximity Read ↗

Revealing the mechanism of action of a first-in-class covalent inhibitor of KRASG12C (ON) and other functional properties of oncogenic KRAS by 31P NMR.Semantic proximity Read ↗

Insight of the molecular mechanism of inhibitors located at different allosteric sites regulating the activity of wild type and mutant KRAS (G12).Semantic proximity Read ↗

⌁Select a neighboring publication to make it the new centre.