[HTML][HTML] Computational approaches streamlining drug discovery
AV Sadybekov, V Katritch - Nature, 2023 - nature.com
Computer-aided drug discovery has been around for decades, although the past few years
have seen a tectonic shift towards embracing computational technologies in both academia …
have seen a tectonic shift towards embracing computational technologies in both academia …
[HTML][HTML] AlphaFold2 and its applications in the fields of biology and medicine
Z Yang, X Zeng, Y Zhao, R Chen - Signal Transduction and Targeted …, 2023 - nature.com
Abstract AlphaFold2 (AF2) is an artificial intelligence (AI) system developed by DeepMind
that can predict three-dimensional (3D) structures of proteins from amino acid sequences …
that can predict three-dimensional (3D) structures of proteins from amino acid sequences …
AI-based structure prediction empowers integrative structural analysis of human nuclear pores
S Mosalaganti, A Obarska-Kosinska, M Siggel… - Science, 2022 - science.org
INTRODUCTION The eukaryotic nucleus protects the genome and is enclosed by the two
membranes of the nuclear envelope. Nuclear pore complexes (NPCs) perforate the nuclear …
membranes of the nuclear envelope. Nuclear pore complexes (NPCs) perforate the nuclear …
Sampling alternative conformational states of transporters and receptors with AlphaFold2
Equilibrium fluctuations and triggered conformational changes often underlie the functional
cycles of membrane proteins. For example, transporters mediate the passage of molecules …
cycles of membrane proteins. For example, transporters mediate the passage of molecules …
AlphaFold Protein Structure Database: massively expanding the structural coverage of protein-sequence space with high-accuracy models
Abstract The AlphaFold Protein Structure Database (AlphaFold DB, https://alphafold. ebi. ac.
uk) is an openly accessible, extensive database of high-accuracy protein-structure …
uk) is an openly accessible, extensive database of high-accuracy protein-structure …
[HTML][HTML] Clustering predicted structures at the scale of the known protein universe
Proteins are key to all cellular processes and their structure is important in understanding
their function and evolution. Sequence-based predictions of protein structures have …
their function and evolution. Sequence-based predictions of protein structures have …
[HTML][HTML] AlphaFold predictions are valuable hypotheses and accelerate but do not replace experimental structure determination
Artificial intelligence-based protein structure prediction methods such as AlphaFold have
revolutionized structural biology. The accuracies of these predictions vary, however, and …
revolutionized structural biology. The accuracies of these predictions vary, however, and …
Protein representation learning by geometric structure pretraining
Learning effective protein representations is critical in a variety of tasks in biology such as
predicting protein function or structure. Existing approaches usually pretrain protein …
predicting protein function or structure. Existing approaches usually pretrain protein …
[HTML][HTML] Harnessing protein folding neural networks for peptide–protein docking
Highly accurate protein structure predictions by deep neural networks such as AlphaFold2
and RoseTTAFold have tremendous impact on structural biology and beyond. Here, we …
and RoseTTAFold have tremendous impact on structural biology and beyond. Here, we …
Mechanisms and pathology of protein misfolding and aggregation
Despite advances in machine learning-based protein structure prediction, we are still far
from fully understanding how proteins fold into their native conformation. The conventional …
from fully understanding how proteins fold into their native conformation. The conventional …