AIMC Topic: Protein Conformation

Clear Filters Showing 471 to 480 of 560 articles

Predicting Functional Surface Topographies Combining Topological Data Analysis and Deep Learning Across the Human Protein Universe.

Annual International Conference of the IEEE Engineering in Medicine and Biology Society. IEEE Engineering in Medicine and Biology Society. Annual International Conference Jul 1, 2024
Characterizing geometric and topological properties of protein structures encompassing surface pockets, interior cavities, and cross channels is important for understanding their functions. Our knowledge of protein structures has been greatly advance...
Humans Data Analysis Proteins Protein Conformation Deep Learning Computational Biology
View on PubMed DOI

Geometric epitope and paratope prediction.

Bioinformatics (Oxford, England) Jul 1, 2024
MOTIVATION: Identifying the binding sites of antibodies is essential for developing vaccines and synthetic antibodies. In this article, we investigate the optimal representation for predicting the binding sites in the two molecules and emphasize the ...
Binding Sites Epitopes Protein Conformation Software Deep Learning Computational Biology Antibodies
View on PubMed DOI

Knot or not? Identifying unknotted proteins in knotted families with sequence-based Machine Learning model.

Protein science : a publication of the Protein Society Jul 1, 2024
Knotted proteins, although scarce, are crucial structural components of certain protein families, and their roles continue to be a topic of intense research. Capitalizing on the vast collection of protein structure predictions offered by AlphaFold (A...
Models, Molecular Machine Learning Proteins Amino Acid Sequence Databases, Protein Protein Conformation
View on PubMed DOI

One step forward towards deep-learning protein complex structure prediction by precise multiple sequence alignment construction.

Clinical and translational medicine Jun 1, 2024
Deep Learning Proteins Protein Conformation Sequence Alignment
View on PubMed DOI

Who will make AlphaFold3 open source? Scientists race to crack AI model.

Nature Jun 1, 2024
Deep Learning Time Factors Artificial Intelligence Software Protein Folding Research Personnel Protein Conformation
View on PubMed DOI

De novo protein design-From new structures to programmable functions.

Cell Feb 1, 2024
Methods from artificial intelligence (AI) trained on large datasets of sequences and structures can now "write" proteins with new shapes and molecular functions de novo, without starting from proteins found in nature. In this Perspective, I will disc...
Protein Conformation Protein Engineering Deep Learning Proteins Artificial Intelligence
View on PubMed DOI

Protein sequence design on given backbones with deep learning.

Protein engineering, design & selection : PEDS Jan 29, 2024
Deep learning methods for protein sequence design focus on modeling and sampling the many- dimensional distribution of amino acid sequences conditioned on the backbone structure. To produce physically foldable sequences, inter-residue couplings need ...
Deep Learning Amino Acid Sequence Protein Folding Protein Conformation
View on PubMed DOI

Estimating protein-ligand interactions with geometric deep learning and mixture density models.

Journal of biosciences Jan 1, 2024
Understanding the interactions between a ligand and its molecular target is crucial in guiding the optimization of molecules for any drug design workflow. Multiple experimental and computational methods have been developed to better understand these...
Protein Conformation Deep Learning Protein Binding Binding Sites Molecular Docking Simulation Neural Networks, Computer Proteins Drug Design Algorithms Ligands
View on PubMed

Assessment of Protein-Protein Docking Models Using Deep Learning.

Methods in molecular biology (Clifton, N.J.) Jan 1, 2024
Protein-protein interactions are involved in almost all processes in a living cell and determine the biological functions of proteins. To obtain mechanistic understandings of protein-protein interactions, the tertiary structures of protein complexes ...
Protein Conformation Protein Interaction Mapping Software Molecular Docking Simulation Computational Biology Proteins Deep Learning Crystallography, X-Ray Protein Binding
View on PubMed DOI

Machine Learning Methods in Protein-Protein Docking.

Methods in molecular biology (Clifton, N.J.) Jan 1, 2024
An exponential increase in the number of publications that address artificial intelligence (AI) usage in life sciences has been noticed in recent years, while new modeling techniques are constantly being reported. The potential of these methods is va...
Software Algorithms Molecular Docking Simulation Protein Binding Computational Biology Humans Protein Conformation Proteins Machine Learning Protein Interaction Mapping
View on PubMed DOI
Popular Topics
Recent Journals