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

Probing mutation-induced conformational transformation of the GTP/M-RAS complex through Gaussian accelerated molecular dynamics simulations.

Journal of enzyme inhibition and medicinal chemistry - 1 Dec 2023

Bao Huayin, Wang Wei, Sun Haibo, Chen Jianzhong

Abstract excerpt

Mutations highly affect the structural flexibility of two switch domains in M-RAS considered an important target of anticancer drug design. Gaussian accelerated molecular dynamics (GaMD) simulations were applied to probe the effect of mutations P40D, D41E, and P40D/D41E/L51R on the conformational transition of the switch domains from the GTP-bound M-RAS. The analyses of free energy landscapes (FELs) not only...

Read the complete abstract on PubMed

Topics

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

Share to Guanosine Triphosphate
Share to Molecular Dynamics Simulation

Methodology Data sources Editorial policy Privacy About Contact Helena Bioinformatics

Share to Mutation

Share to Protein Conformation

Share to ras Proteins

Source

Open in PubMed Open full text

Identifiers

PMID: 37057639
DOI: 10.1080/14756366.2023.2195995
PMCID: PMC10114971

Provenance

PubMed metadata and Literature Corpus relationships. Corpus snapshot updated 7 Sept 2026. Manifest publication-graph-cohort-2026-09-07.1.

Source receipt: pubmed, retrieved 7 Sept 2026.

Related research

Semantic proximity does not establish scientific evidence.

Research trail→

Click a neighbor to travelStep 1 · 12 closest

Probing mutation-induced conformational transformation of the GTP/M-RAS complex through Gaussian accelerated molecular dynamics simulations.PMID 37057639Read ↗

Unveiling conformational dynamics changes of H-Ras induced by mutations based on accelerated molecular dynamics.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 ↗

Mutation-Induced Impacts on the Switch Transformations of the GDP- and GTP-Bound K-Ras: Insights from Multiple Replica Gaussian Accelerated Molecular Dynamics and Free Energy Analysis.Semantic proximity Read ↗

Conformational States of the GDP- and GTP-Bound HRAS Affected by A59E and K117R: An Exploration from Gaussian Accelerated Molecular Dynamics.Semantic proximity Read ↗

Revealing conformational changes of GTP-bound NRAS mutants probed by GaMD and Markov state models.Semantic proximity Read ↗

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

The switch states of the GDP-bound HRAS affected by point mutations: a study from Gaussian accelerated molecular dynamics simulations and free energy landscapes.Semantic proximity Read ↗

Mutations influence the conformational dynamics of the GDP/KRAS complex.Semantic proximity Read ↗

Deciphering Conformational Changes of the GDP-Bound NRAS Induced by Mutations G13D, Q61R, and C118S through Gaussian Accelerated Molecular Dynamic Simulations.Semantic proximity Read ↗

Mutational landscape of K-Ras substitutions at 12th position-a systematic molecular dynamics approach.Semantic proximity Read ↗

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

Comparative MD simulations and advanced analytics based studies on wild-type and hot-spot mutant A59G HRas.Semantic proximity Read ↗

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