Enriching stabilizing mutations through automated analysis of molecular dynamics simulations using BoostMut
Fuente:
Wiley Open Access
Enregistré dans:
| Auteurs principaux: | Kerlen T. Korbeld, Maximilian J. L. J. Fürst |
|---|---|
| Format: | Artículo Open Access |
| Publié: |
Wiley
2025
|
| Sujets: | |
| Accès en ligne: | |
| Tags: |
Ajouter un tag
Pas de tags, Soyez le premier à ajouter un tag!
|
Documents similaires
How arginine inhibits substrate‐binding domain 2 elucidated using molecular dynamics simulations
par: Maximilian Kienlein, et autres
Publié: (2024)
par: Maximilian Kienlein, et autres
Publié: (2024)
Understanding the stability landscape of LbCas12a by deep analysis of stabilizing mutations and mutation combinations
par: Jiajun Dong, et autres
Publié: (2025)
par: Jiajun Dong, et autres
Publié: (2025)
Unveiling the molecular mechanism of Gi protein biased activation at mGlu2–mGlu4 heterodimers through Gaussian accelerated molecular dynamics simulations
par: Baoyu He, et autres
Publié: (2025)
par: Baoyu He, et autres
Publié: (2025)
Role of UDP‐N‐acetylmuramic acid in the regulation of MurA activity revealed by molecular dynamics simulations
par: Maycon Vinicius Damasceno de Oliveira, et autres
Publié: (2024)
par: Maycon Vinicius Damasceno de Oliveira, et autres
Publié: (2024)
Activity‐restoring mutations in the histamine H 3 receptor increase constitutive activity and reduce structural stability
par: Ami Nakajima, et autres
Publié: (2025)
par: Ami Nakajima, et autres
Publié: (2025)
Probing effects of site‐specific aspartic acid isomerization on structure and stability of GB1 through chemical protein synthesis
par: Shelby L. Heath, et autres
Publié: (2024)
par: Shelby L. Heath, et autres
Publié: (2024)
The pathogenic E139D mutation stabilizes a non‐canonical active state of the multi‐domain phosphatase SHP2
par: Anne E. van Vlimmeren, et autres
Publié: (2025)
par: Anne E. van Vlimmeren, et autres
Publié: (2025)
An in silico framework to visualize how cancer‐associated mutations influence structural plasticity of the chemokine receptor CCR3
par: Evan J. van Aalst, et autres
Publié: (2024)
par: Evan J. van Aalst, et autres
Publié: (2024)
Correlating membrane‐protein dynamics with function: Integrating bioinformatics, molecular dynamics, and single‐molecule FRET
par: Hugh R. Higinbotham, et autres
Publié: (2025)
par: Hugh R. Higinbotham, et autres
Publié: (2025)
StabLyzeGraph : High‐throughput screening of combinatorial mutations using graph neural networks
par: Muhammad Waqas, et autres
Publié: (2026)
par: Muhammad Waqas, et autres
Publié: (2026)
Second‐order allosteric control as a mechanism for compensatory mutations in B‐cell translocation gene 2
par: Nicholas J. Ose, et autres
Publié: (2025)
par: Nicholas J. Ose, et autres
Publié: (2025)
Integrating molecular dynamics simulation with small‐ and wide‐angle X‐ray scattering to unravel the flexibility, antigen‐blocking, and protease‐restoring functions in a hindrance‐based pro‐antibody
par: Jun Min Liao, et autres
Publié: (2024)
par: Jun Min Liao, et autres
Publié: (2024)
Structure‐guided engineering of protein stability through core hydrophobicity
par: Aravind Ravichandran, et autres
Publié: (2025)
par: Aravind Ravichandran, et autres
Publié: (2025)
Energy, water, and protein folding: A molecular dynamics‐based quantitative inventory of molecular interactions and forces that make proteins stable
par: Juan José Galano‐Frutos, et autres
Publié: (2024)
par: Juan José Galano‐Frutos, et autres
Publié: (2024)
Structural dynamics and functional cooperativity of human NQO1 by ambient temperature serial crystallography and simulations
par: Alice Grieco, et autres
Publié: (2024)
par: Alice Grieco, et autres
Publié: (2024)
Complete combinatorial mutational enumeration of a protein functional site enables sequence‐landscape mapping and identifies highly‐mutated variants that retain activity
par: Mireia Solà Colom, et autres
Publié: (2024)
par: Mireia Solà Colom, et autres
Publié: (2024)
An ALS ‐associated mutation in the C‐terminal α‐helix of TDP ‐43 uncouples condensate formation and amyloid assembly
par: Emily J. Byrd, et autres
Publié: (2026)
par: Emily J. Byrd, et autres
Publié: (2026)
Predicting absolute protein folding stability using generative models
par: Matteo Cagiada, et autres
Publié: (2024)
par: Matteo Cagiada, et autres
Publié: (2024)
ApoJ regulates endothelial lipase activity and stability
par: Uriel L. Jean‐Baptiste, et autres
Publié: (2026)
par: Uriel L. Jean‐Baptiste, et autres
Publié: (2026)
Computational studies on the functional and structural impact of pathogenic mutations in enzymes
par: Upeksha C. Dissanayake, et autres
Publié: (2025)
par: Upeksha C. Dissanayake, et autres
Publié: (2025)
A multidomain hydrolase from the thermophile Thermanaeromonas toyohensis degrades high molecular mass forms of polyhydroxybutyrate
par: Stephen Quirk, et autres
Publié: (2025)
par: Stephen Quirk, et autres
Publié: (2025)
Cumulative asparagine to aspartate deamidation fails to perturb γD‐crystallin structure and stability
par: Alex J. Guseman, et autres
Publié: (2024)
par: Alex J. Guseman, et autres
Publié: (2024)
The structural influence of the oncogenic driver mutation N642H in the STAT5B SH2 domain
par: Liam Haas‐Neill, et autres
Publié: (2024)
par: Liam Haas‐Neill, et autres
Publié: (2024)
Genetic mutations disrupt the coordinated mode of tyrosinase's intra‐melanosomal domain
par: Sarah Toay, et autres
Publié: (2025)
par: Sarah Toay, et autres
Publié: (2025)
Project automation in CCP4 Cloud: Enabling customization and high‐throughput efficiency
par: Eugene Krissinel, et autres
Publié: (2025)
par: Eugene Krissinel, et autres
Publié: (2025)
Discovery of novel, high‐affinity HBV T‐cell epitopes by molecular dynamics‐augmented proteome‐wide screening
par: Mingchen Yan, et autres
Publié: (2026)
par: Mingchen Yan, et autres
Publié: (2026)
Compartment‐guided assembly of large‐scale molecular models with Bentopy
par: M. S. S. Westendorp, et autres
Publié: (2026)
par: M. S. S. Westendorp, et autres
Publié: (2026)
In silico peptide self‐assembly reveals the importance of N‐terminal motifs and the inhibition mechanism of the mutation L38M in α ‐synuclein fibrillation
par: Van T. T. Nguyen, et autres
Publié: (2026)
par: Van T. T. Nguyen, et autres
Publié: (2026)
Glycopolymers stabilize protein folding and protein–protein interactions via enthalpic interactions
par: Sabrina M. Richter, et autres
Publié: (2025)
par: Sabrina M. Richter, et autres
Publié: (2025)
Decoding the mechanism governing the structural stability of wheat germ agglutinin and its isolated domains: A combined calorimetric, NMR, and MD simulation study
par: Jorge Luis Medrano‐Cerano, et autres
Publié: (2024)
par: Jorge Luis Medrano‐Cerano, et autres
Publié: (2024)
Delineating redox cooperativity in water‐soluble and membrane multiheme cytochromes through protein design
par: Benjamin J. Hardy, et autres
Publié: (2024)
par: Benjamin J. Hardy, et autres
Publié: (2024)
Network‐based allosteric analysis of galectin‐7: Key residues dictate functional communication and stability
par: N. T. Hang Pham, et autres
Publié: (2026)
par: N. T. Hang Pham, et autres
Publié: (2026)
Understanding cell‐penetrating peptide mechanisms using computational electrophysiology simulations
par: Eric Catalina‐Hernandez, et autres
Publié: (2026)
par: Eric Catalina‐Hernandez, et autres
Publié: (2026)
Concentration‐dependent mutational scanning probes the cellular folding landscape of α‐synuclein in yeast
par: Daeun Noh, et autres
Publié: (2026)
par: Daeun Noh, et autres
Publié: (2026)
Unraveling the underlying mechanisms of reduced amyloidogenic properties in human calcitonin via double mutations
par: Yu‐Pei Chang, et autres
Publié: (2024)
par: Yu‐Pei Chang, et autres
Publié: (2024)
Joint modeling of longitudinal and time‐to‐event data for dynamic disease risk prediction using proteomics
par: Markus Lindén, et autres
Publié: (2026)
par: Markus Lindén, et autres
Publié: (2026)
Engineering G protein‐coupled receptors for stabilization
par: João Paulo L. Velloso, et autres
Publié: (2024)
par: João Paulo L. Velloso, et autres
Publié: (2024)
Calcium‐dependent cooperativity and stability of Titin's tandem I82 ‐ I83 domains
par: Colleen M. Kelly, et autres
Publié: (2025)
par: Colleen M. Kelly, et autres
Publié: (2025)
Exploring P450 superfamily diversity with P450Atlas ‐ Online tool for automated subfamily assignment
par: Dominik Gront, et autres
Publié: (2025)
par: Dominik Gront, et autres
Publié: (2025)
Impurities in amyloid studies: The power of automated model building within a cautionary tale for structural biologists
par: David Rhyner, et autres
Publié: (2025)
par: David Rhyner, et autres
Publié: (2025)
Documents similaires
-
How arginine inhibits substrate‐binding domain 2 elucidated using molecular dynamics simulations
par: Maximilian Kienlein, et autres
Publié: (2024) -
Understanding the stability landscape of LbCas12a by deep analysis of stabilizing mutations and mutation combinations
par: Jiajun Dong, et autres
Publié: (2025) -
Unveiling the molecular mechanism of Gi protein biased activation at mGlu2–mGlu4 heterodimers through Gaussian accelerated molecular dynamics simulations
par: Baoyu He, et autres
Publié: (2025) -
Role of UDP‐N‐acetylmuramic acid in the regulation of MurA activity revealed by molecular dynamics simulations
par: Maycon Vinicius Damasceno de Oliveira, et autres
Publié: (2024) -
Activity‐restoring mutations in the histamine H 3 receptor increase constitutive activity and reduce structural stability
par: Ami Nakajima, et autres
Publié: (2025)