Gaussian accelerated molecular dynamics: Principles and applications
Gaussian accelerated molecular dynamics (GaMD) is a robust computational method for
simultaneous unconstrained enhanced sampling and free energy calculations of …
simultaneous unconstrained enhanced sampling and free energy calculations of …
Challenges and opportunities in cryo-EM single-particle analysis
D Lyumkis - Journal of Biological Chemistry, 2019 - ASBMB
Cryogenic electron microscopy (cryo-EM) enables structure determination of
macromolecular objects and their assemblies. Although the techniques have been …
macromolecular objects and their assemblies. Although the techniques have been …
A wheat resistosome defines common principles of immune receptor channels
A Förderer, E Li, AW Lawson, Y Deng, Y Sun… - Nature, 2022 - nature.com
Plant intracellular nucleotide-binding leucine-rich repeat receptors (NLRs) detect pathogen
effectors to trigger immune responses. Indirect recognition of a pathogen effector by the …
effectors to trigger immune responses. Indirect recognition of a pathogen effector by the …
Structures and distributions of SARS-CoV-2 spike proteins on intact virions
Severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) virions are surrounded by
a lipid bilayer from which spike (S) protein trimers protrude. Heavily glycosylated S trimers …
a lipid bilayer from which spike (S) protein trimers protrude. Heavily glycosylated S trimers …
Direct pathogen-induced assembly of an NLR immune receptor complex to form a holoenzyme
INTRODUCTION Discrimination of self from nonself is pivotal for cellular organisms, as it
allows the perception of pathogenic invaders that might otherwise multiply unchecked and …
allows the perception of pathogenic invaders that might otherwise multiply unchecked and …
Structure of Hsp90–Hsp70–Hop–GR reveals the Hsp90 client-loading mechanism
RYR Wang, CM Noddings, E Kirschke, AG Myasnikov… - Nature, 2022 - nature.com
Maintaining a healthy proteome is fundamental for the survival of all organisms. Integral to
this are Hsp90 and Hsp70, molecular chaperones that together facilitate the folding …
this are Hsp90 and Hsp70, molecular chaperones that together facilitate the folding …
Shared structural mechanisms of general anaesthetics and benzodiazepines
Most general anaesthetics and classical benzodiazepine drugs act through positive
modulation of γ-aminobutyric acid type A (GABAA) receptors to dampen neuronal activity in …
modulation of γ-aminobutyric acid type A (GABAA) receptors to dampen neuronal activity in …
New tools for automated high-resolution cryo-EM structure determination in RELION-3
Here, we describe the third major release of RELION. CPU-based vector acceleration has
been added in addition to GPU support, which provides flexibility in use of resources and …
been added in addition to GPU support, which provides flexibility in use of resources and …
Structural basis of STING binding with and phosphorylation by TBK1
The invasion of mammalian cytoplasm by microbial DNA from infectious pathogens or by
self DNA from the nucleus or mitochondria represents a danger signal that alerts the host …
self DNA from the nucleus or mitochondria represents a danger signal that alerts the host …
Cryo-EM structures of STING reveal its mechanism of activation by cyclic GMP–AMP
Infections by pathogens that contain DNA trigger the production of type-I interferons and
inflammatory cytokines through cyclic GMP–AMP synthase, which produces 2′ 3′-cyclic …
inflammatory cytokines through cyclic GMP–AMP synthase, which produces 2′ 3′-cyclic …