AIMC Topic: Guanosine Triphosphate

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Molecular Mechanism of Phosphorylation-Mediated Impacts on the Conformation Dynamics of GTP-Bound KRAS Probed by GaMD Trajectory-Based Deep Learning.

Molecules (Basel, Switzerland) May 15, 2024
The phosphorylation of different sites produces a significant effect on the conformational dynamics of KRAS. Gaussian accelerated molecular dynamics (GaMD) simulations were combined with deep learning (DL) to explore the molecular mechanism of the ph...
Humans Deep Learning Protein Binding Phosphorylation Principal Component Analysis Molecular Dynamics Simulation Protein Conformation Proto-Oncogene Proteins p21(ras) Guanosine Triphosphate
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Recognizing five molecular ligand-binding sites with similar chemical structure.

Journal of computational chemistry Oct 23, 2019
Accurate identification of ligand-binding sites and discovering the protein-ligand interaction mechanism are important for understanding proteins' functions and designing new drugs. Meanwhile, accurate computational prediction and mechanism research ...
Support Vector Machine Proteins Adenosine Triphosphate Ligands Binding Sites NAD Guanosine Triphosphate Adenosine Diphosphate Guanosine Diphosphate
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Using two-dimensional convolutional neural networks for identifying GTP binding sites in Rab proteins.

Journal of bioinformatics and computational biology Feb 1, 2019
Deep learning has been increasingly and widely used to solve numerous problems in various fields with state-of-the-art performance. It can also be applied in bioinformatics to reduce the requirement for feature extraction and reach high performance. ...
Humans Neural Networks, Computer Deep Learning Computational Biology Databases, Protein Amino Acids Amino Acid Sequence Binding Sites rab GTP-Binding Proteins Guanosine Triphosphate
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