Protein storytelling through physics
BACKGROUND Understanding biology, particularly at the level of actionable drug
discovery, is often a matter of developing accurate stories about how proteins work. This …
discovery, is often a matter of developing accurate stories about how proteins work. This …
Critical assessment of methods of protein structure prediction (CASP)—Round XIV
Critical assessment of structure prediction (CASP) is a community experiment to advance
methods of computing three‐dimensional protein structure from amino acid sequence. Core …
methods of computing three‐dimensional protein structure from amino acid sequence. Core …
Hybrid computational methods combining experimental information with molecular dynamics
A goal of structural biology is to understand how macromolecules carry out their biological
roles by identifying their metastable states, mechanisms of action, pathways leading to …
roles by identifying their metastable states, mechanisms of action, pathways leading to …
Assessment of prediction methods for protein structures determined by NMR in CASP14: Impact of AlphaFold2
NMR studies can provide unique information about protein conformations in solution. In
CASP14, three reference structures provided by solution NMR methods were available …
CASP14, three reference structures provided by solution NMR methods were available …
AlphaFold models of small proteins rival the accuracy of solution NMR structures
R Tejero, YJ Huang, TA Ramelot… - Frontiers in Molecular …, 2022 - frontiersin.org
Recent advances in molecular modeling using deep learning have the potential to
revolutionize the field of structural biology. In particular, AlphaFold has been observed to …
revolutionize the field of structural biology. In particular, AlphaFold has been observed to …
Blind assessment of monomeric AlphaFold2 protein structure models with experimental NMR data
Recent advances in molecular modeling of protein structures are changing the field of
structural biology. AlphaFold-2 (AF2), an AI system developed by DeepMind, Inc., utilizes …
structural biology. AlphaFold-2 (AF2), an AI system developed by DeepMind, Inc., utilizes …
PRE‐driven protein NMR structures: an alternative approach in highly paramagnetic systems
Metalloproteins play key roles across biology, and knowledge of their structure is essential
to understand their physiological role. For those metalloproteins containing paramagnetic …
to understand their physiological role. For those metalloproteins containing paramagnetic …
CryoFold 2.0: Cryo-EM Structure Determination with MELD
Cryo-electron microscopy data are becoming more prevalent and accessible at higher
resolution levels, leading to the development of new computational tools to determine the …
resolution levels, leading to the development of new computational tools to determine the …
NMR of Paramagnetic Proteins: 13C Derived Paramagnetic Relaxation Enhancements Are an Additional Source of Structural Information in Solution
In paramagnetic metalloproteins, longitudinal relaxation rates of 13C′ and 13Cα nuclei can
be measured using 13C detected experiments and converted into electron spin-nuclear spin …
be measured using 13C detected experiments and converted into electron spin-nuclear spin …
Simultaneous assignment and structure determination of proteins from sparsely labeled NMR datasets
Sparsely labeled NMR samples provide opportunities to study larger biomolecular
assemblies than is traditionally done by NMR. This requires new computational tools that …
assemblies than is traditionally done by NMR. This requires new computational tools that …