AIMC Topic: Protein Conformation

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Challenges in antibody structure prediction.

mAbs
Advances in structural biology and the exponential increase in the amount of high-quality experimental structural data available in the Protein Data Bank has motivated numerous studies to tackle the grand challenge of predicting protein structures. I...

GeoPacker: A novel deep learning framework for protein side-chain modeling.

Protein science : a publication of the Protein Society
Atomic interactions play essential roles in protein folding, structure stabilization, and function performance. Recent advances in deep learning-based methods have achieved impressive success not only in protein structure prediction, but also in prot...

AlphaFold predicts the most complex protein knot and composite protein knots.

Protein science : a publication of the Protein Society
The computer artificial intelligence system AlphaFold has recently predicted previously unknown three-dimensional structures of thousands of proteins. Focusing on the subset with high-confidence scores, we algorithmically analyze these predictions fo...

CSM-Potential: mapping protein interactions and biological ligands in 3D space using geometric deep learning.

Nucleic acids research
Recent advances in protein structural modelling have enabled the accurate prediction of the holo 3D structures of almost any protein, however protein function is intrinsically linked to the interactions it makes. While a number of computational appro...

DEMO2: Assemble multi-domain protein structures by coupling analogous template alignments with deep-learning inter-domain restraint prediction.

Nucleic acids research
Most proteins in nature contain multiple folding units (or domains). The revolutionary success of AlphaFold2 in single-domain structure prediction showed potential to extend deep-learning techniques for multi-domain structure modeling. This work pres...

LOMETS3: integrating deep learning and profile alignment for advanced protein template recognition and function annotation.

Nucleic acids research
Deep learning techniques have significantly advanced the field of protein structure prediction. LOMETS3 (https://zhanglab.ccmb.med.umich.edu/LOMETS/) is a new generation meta-server approach to template-based protein structure prediction and function...

AlphaFold accurately predicts distinct conformations based on the oligomeric state of a de novo designed protein.

Protein science : a publication of the Protein Society
Using the molecular modeling program Rosetta, we designed a de novo protein, called SEWN0.1, which binds the heterotrimeric G protein Gα The design is helical, well-folded, and primarily monomeric in solution at a concentration of 10 μM. However, whe...

InterPepScore: a deep learning score for improving the FlexPepDock refinement protocol.

Bioinformatics (Oxford, England)
MOTIVATION: Interactions between peptide fragments and protein receptors are vital to cell function yet difficult to experimentally determine in structural details of. As such, many computational methods have been developed to aid in peptide-protein ...

Accurate flexible refinement for atomic-level protein structure using cryo-EM density maps and deep learning.

Briefings in bioinformatics
With the rapid progress of deep learning in cryo-electron microscopy and protein structure prediction, improving the accuracy of the protein structure model by using a density map and predicted contact/distance map through deep learning has become an...