Macromolecular modeling and design in Rosetta: recent methods and frameworks
The Rosetta software for macromolecular modeling, docking and design is extensively used
in laboratories worldwide. During two decades of development by a community of …
in laboratories worldwide. During two decades of development by a community of …
Protein structure prediction from sequence variation
Genomic sequences contain rich evolutionary information about functional constraints on
macromolecules such as proteins. This information can be efficiently mined to detect …
macromolecules such as proteins. This information can be efficiently mined to detect …
[HTML][HTML] High-resolution comparative modeling with RosettaCM
We describe an improved method for comparative modeling, RosettaCM, which optimizes a
physically realistic all-atom energy function over the conformational space defined by …
physically realistic all-atom energy function over the conformational space defined by …
Protein 3D structure computed from evolutionary sequence variation
The evolutionary trajectory of a protein through sequence space is constrained by its
function. Collections of sequence homologs record the outcomes of millions of evolutionary …
function. Collections of sequence homologs record the outcomes of millions of evolutionary …
Optimized ratiometric calcium sensors for functional in vivo imaging of neurons and T lymphocytes
T Thestrup, J Litzlbauer, I Bartholomäus, M Mues… - Nature …, 2014 - nature.com
The quality of genetically encoded calcium indicators (GECIs) has improved dramatically in
recent years, but high-performing ratiometric indicators are still rare. Here we describe a …
recent years, but high-performing ratiometric indicators are still rare. Here we describe a …
Determination of secondary structure populations in disordered states of proteins using nuclear magnetic resonance chemical shifts
One of the major open challenges in structural biology is to achieve effective descriptions of
disordered states of proteins. This problem is difficult because these states are …
disordered states of proteins. This problem is difficult because these states are …
Mitochondrial uncoupling protein 2 structure determined by NMR molecular fragment searching
Abstract Mitochondrial uncoupling protein 2 (UCP2) is an integral membrane protein in the
mitochondrial anion carrier protein family, the members of which facilitate the transport of …
mitochondrial anion carrier protein family, the members of which facilitate the transport of …
Tau local structure shields an amyloid-forming motif and controls aggregation propensity
Tauopathies are neurodegenerative diseases characterized by intracellular amyloid
deposits of tau protein. Missense mutations in the tau gene (MAPT) correlate with …
deposits of tau protein. Missense mutations in the tau gene (MAPT) correlate with …
Recent advances in spectroscopic techniques for the analysis of microplastics in food
Microplastic pollution has become a worldwide concern in aquatic and terrestrial
environments. Microplastics could also enter the food chain, causing potential harm to …
environments. Microplastics could also enter the food chain, causing potential harm to …
Miniaturization of NMR systems: Desktop spectrometers, microcoil spectroscopy, and “NMR on a chip” for chemistry, biochemistry, and industry
SS Zalesskiy, E Danieli, B Blumich… - Chemical …, 2014 - ACS Publications
Nuclear magnetic resonance spectroscopy (NMR) nowadays is one of the most powerful
and versatile analytical methods for modern organic chemistry,(1) catalysis,(2) biology,(3) …
and versatile analytical methods for modern organic chemistry,(1) catalysis,(2) biology,(3) …