专题:Protein Structure and Dynamics

This cluster of papers focuses on the prediction and analysis of protein structures using methods such as molecular dynamics simulations, force fields, homology modeling, and circular dichroism. It also explores topics related to intrinsically disordered proteins, enzyme catalysis, and the effects of macromolecular crowding on protein behavior.
最新文献
Atomic resolution ensembles of intrinsically disordered proteins with Alphafold

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Using a GPT-5-driven autonomous lab to optimize the cost and titer of cell-free protein synthesis

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Multiple protein structure alignment at scale with FoldMason

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Guided Auxiliary Structure Discovery (GASD): A Symmetry-Constrained Method for Latent Structure Inference

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Cooperative Native Contact Formation Facilitates Free Energy Barrier Crossing in Protein Folding

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Deep contrastive learning enables genome-wide virtual screening

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Spatially Resolved Single-Water Entropy around Amino Acids and Its Link to Hydropathy

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AlphaFold-RandomWalk and AlphaFold-Ensemble: Sampling Alternative Protein Conformations with Perturbed Versions of AlphaFold

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Large scale prospective evaluation of co-folding across 557 Mac1-ligand complexes and three virtual screens

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A Foundation Model for Accurate Atomistic Simulations in Drug Design

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近5年高被引文献
Accurate structure prediction of biomolecular interactions with AlphaFold 3

article Full Text OpenAlex 11393 FWCI2739.9713

ColabFold: making protein folding accessible to all

article Full Text OpenAlex 9228 FWCI773.1492

UCSF ChimeraX: Tools for structure building and analysis

article Full Text OpenAlex 3592 FWCI793.1238

InterPro in 2022

article Full Text OpenAlex 2475 FWCI218.2479

Fast and accurate protein structure search with Foldseek

article Full Text OpenAlex 2111 FWCI326.073

AlphaFold Protein Structure Database in 2024: providing structure coverage for over 214 million protein sequences

article Full Text OpenAlex 1684 FWCI162.9804

De novo design of protein structure and function with RFdiffusion

article Full Text OpenAlex 1665 FWCI259.9835

Robust deep learning–based protein sequence design using ProteinMPNN

article Full Text OpenAlex 1602 FWCI123.8704

AmberTools

article Full Text OpenAlex 1600 FWCI250.4084

E(3)-equivariant graph neural networks for data-efficient and accurate interatomic potentials

article Full Text OpenAlex 1506 FWCI103.1752