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Exploring Kinase Asp-Phe-Gly (DFG) Loop Conformational Stability with AlphaFold2-RAVE

Journal of Chemical Information and Modeling, 2023
Kinases compose one of the largest fractions of the human proteome, and their misfunction is implicated in many diseases, in particular, cancers. The ubiquitousness and structural similarities of kinases make specific and effective drug design difficult.
Bodhi P. Vani   +2 more
semanticscholar   +1 more source

The Conformational Transition Pathways and Hidden Intermediates in DFG-Flip Process of c-Met Kinase Revealed by Metadynamics Simulations

Journal of Chemical Information and Modeling, 2022
Protein kinases intrinsically translate their conformations between active and inactive states, which is key to their enzymatic activities. The conformational flipping of the three-residue conservative motif, Asp-Phe-Gly (DFG), is crucial for many ...
Tao Jiang   +5 more
semanticscholar   +1 more source

Exploration of structural requirements for the inhibition of VEGFR-2 tyrosine kinase: Binding site analysis of type II, ‘DFG-out’ inhibitors

Journal of Biomolecular Structure and Dynamics, 2021
The conserved three-dimensional structure of receptor tyrosine kinases (RTKs) has been varyingly observed in prokaryotes to humans that actively participate in the phosphorylation process of tyrosine residues in the protein, which results in the ...
Siddharth J Modi, V. Kulkarni
semanticscholar   +1 more source

Deutsche Forschungsgemeinschaft (DFG)

The Grants Register 2022, 2018
H. Braun
openaire   +2 more sources

ProtFold-DFG: protein fold recognition by combining Directed Fusion Graph and PageRank algorithm

Briefings Bioinform., 2020
As one of the most important tasks in protein structure prediction, protein fold recognition has attracted more and more attention. In this regard, some computational predictors have been proposed with the development of machine learning and artificial ...
Jiangyi Shao, Bin Liu
semanticscholar   +1 more source

Android Malware Family Classification and Characterization Using CFG and DFG

Theoretical Aspects of Software Engineering, 2019
Android malware has become a serious threat for our daily life, and thus there is a pressing need to effectively mitigate or defend against them. Recently, many approaches and tools to analyze Android malware have been proposed to protect legitimate ...
Zhiwu Xu, Kerong Ren, Fu Song
semanticscholar   +1 more source

CDGDroid: Android Malware Detection Based on Deep Learning Using CFG and DFG

IEEE International Conference on Formal Engineering Methods, 2018
Android malware has become a serious threat in our daily digital life, and thus there is a pressing need to effectively detect or defend against them. Recent techniques have relied on the extraction of lightweight syntactic features that are suitable for
Zhiwu Xu, Kerong Ren, S. Qin, F. Craciun
semanticscholar   +1 more source

Characterization of Covalent Pyrazolopyrimidine-MKK7 Complexes and a Report on a Unique DFG-in/Leu-in Conformation of Mitogen-Activated Protein Kinase Kinase 7 (MKK7).

Journal of Medicinal Chemistry, 2019
Pyrazolopyrimidines are well-established as covalent inhibitors of protein kinases such as the epidermal growth factor receptor or Bruton's tyrosine kinase, and we recently described their potential in targeting mitogen-activated protein kinase kinase 7 (
P. Wolle   +6 more
semanticscholar   +1 more source

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