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Scientific discovery in the age of artificial intelligence
Artificial intelligence (AI) is being increasingly integrated into scientific discovery to augment
and accelerate research, hel** scientists to generate hypotheses, design experiments …
and accelerate research, hel** scientists to generate hypotheses, design experiments …
Computational approaches streamlining drug discovery
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 …
Accurate structure prediction of biomolecular interactions with AlphaFold 3
The introduction of AlphaFold 2 has spurred a revolution in modelling the structure of
proteins and their interactions, enabling a huge range of applications in protein modelling …
proteins and their interactions, enabling a huge range of applications in protein modelling …
De novo design of protein structure and function with RFdiffusion
There has been considerable recent progress in designing new proteins using deep-
learning methods,,,,,,,–. Despite this progress, a general deep-learning framework for protein …
learning methods,,,,,,,–. Despite this progress, a general deep-learning framework for protein …
AlphaFold Protein Structure Database in 2024: providing structure coverage for over 214 million protein sequences
M Varadi, D Bertoni, P Magana, U Paramval… - Nucleic acids …, 2024 - academic.oup.com
Abstract The AlphaFold Database Protein Structure Database (AlphaFold DB,
https://alphafold. ebi. ac. uk) has significantly impacted structural biology by amassing over …
https://alphafold. ebi. ac. uk) has significantly impacted structural biology by amassing over …
Generalized biomolecular modeling and design with RoseTTAFold All-Atom
Deep-learning methods have revolutionized protein structure prediction and design but are
presently limited to protein-only systems. We describe RoseTTAFold All-Atom (RFAA), which …
presently limited to protein-only systems. We describe RoseTTAFold All-Atom (RFAA), which …
The molecular basis for cellular function of intrinsically disordered protein regions
Intrinsically disordered protein regions exist in a collection of dynamic interconverting
conformations that lack a stable 3D structure. These regions are structurally heterogeneous …
conformations that lack a stable 3D structure. These regions are structurally heterogeneous …
The CCP4 suite: integrative software for macromolecular crystallography
The Collaborative Computational Project No. 4 (CCP4) is a UK-led international collective
with a mission to develop, test, distribute and promote software for macromolecular …
with a mission to develop, test, distribute and promote software for macromolecular …
Accurate prediction of protein–nucleic acid complexes using RoseTTAFoldNA
Protein–RNA and protein–DNA complexes play critical roles in biology. Despite
considerable recent advances in protein structure prediction, the prediction of the structures …
considerable recent advances in protein structure prediction, the prediction of the structures …
From nature to industry: Harnessing enzymes for biocatalysis
Biocatalysis harnesses enzymes to make valuable products. This green technology is used
in countless applications from bench scale to industrial production and allows practitioners …
in countless applications from bench scale to industrial production and allows practitioners …