Breaking the conformational ensemble barrier: Ensemble structure modeling challenges in CASP15

Protein structure prediction has reached the single-structure frontier

(2023) Thomas J. Lane   NATURE METHODS

Allosteric regulation and inhibition of protein kinases

(2023) Victoria R. Mingione et al.   BIOCHEMICAL SOCIETY TRANSACTIONS

New prediction categories in CASP15

(2023) Andriy Kryshtafovych et al.   PROTEINS-STRUCTURE FUNCTION AND BIOINFORMATICS

Biasing AlphaFold2 to predict GPCRs and kinases with user-defined functional or structural properties

(2023) Davide Sala et al.   Frontiers in Molecular Biosciences

The Alternating Access Mechanism in Mammalian Multidrug Resistance Transporters and Their Bacterial Homologs

(2023) Shadi A Badiee et al.   Membranes

Modeling conformational states of proteins with AlphaFold

(2023) D. Sala et al.   CURRENT OPINION IN STRUCTURAL BIOLOGY

RNA target highlights in CASP15: Evaluation of predicted models by structure providers

(2023) Rachael C. Kretsch et al.   PROTEINS-STRUCTURE FUNCTION AND BIOINFORMATICS

Tertiary structure assessment at CASP15

(2023) Adam J. Simpkin et al.   PROTEINS-STRUCTURE FUNCTION AND BIOINFORMATICS

Protein target highlights in CASP15: Analysis of models by structure providers

(2023) Leila T. Alexander et al.   PROTEINS-STRUCTURE FUNCTION AND BIOINFORMATICS

ColabFold: making protein folding accessible to all

(2022) Milot Mirdita et al.   NATURE METHODS

AlphaFold, Artificial Intelligence (AI), and Allostery

(2022) Ruth Nussinov et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Mechanism of AAA+ ATPase-mediated RuvAB–Holliday junction branch migration

(2022) Jiri Wald et al.   NATURE

Highly accurate protein structure prediction with AlphaFold

(2021) John Jumper et al.   NATURE

High‐accuracy protein structure prediction in CASP14

(2021) Joana Pereira et al.   PROTEINS-STRUCTURE FUNCTION AND BIOINFORMATICS

Cryo‐EM targets in CASP14

(2021) Tristan Cragnolini et al.   PROTEINS-STRUCTURE FUNCTION AND BIOINFORMATICS

Critical Assessment of Methods of Protein Structure Prediction ( CASP ) – Round XIV

(2021) Andriy Kryshtafovych et al.   PROTEINS-STRUCTURE FUNCTION AND BIOINFORMATICS

Conformational states dynamically populated by a kinase determine its function

(2020) Tao Xie et al.   SCIENCE

Cryo‐electron microscopy targets in CASP13: Overview and evaluation of results

(2019) Andriy Kryshtafovych et al.   PROTEINS-STRUCTURE FUNCTION AND BIOINFORMATICS

Mix-and-inject XFEL crystallography reveals gated conformational dynamics during enzyme catalysis

(2019) Medhanjali Dasgupta et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

Improved metrics for comparing structures of macromolecular assemblies determined by 3D electron-microscopy

(2017) Agnel Praveen Joseph et al.   JOURNAL OF STRUCTURAL BIOLOGY

Assessment of protein assembly prediction in CASP12

(2017) Aleix Lafita et al.   PROTEINS-STRUCTURE FUNCTION AND BIOINFORMATICS