Critical assessment of methods of protein structure prediction (CASP)—Round XIII
CASP (critical assessment of structure prediction) assesses the state of the art in modeling
protein structure from amino acid sequence. The most recent experiment (CASP13 held in …
protein structure from amino acid sequence. The most recent experiment (CASP13 held in …
[HTML][HTML] Applications of molecular dynamics simulation in structure prediction of peptides and proteins
H Geng, F Chen, J Ye, F Jiang - Computational and structural …, 2019 - Elsevier
Compared with rapid accumulation of protein sequences from high-throughput DNA
sequencing, obtaining experimental 3D structures of proteins is still much more difficult …
sequencing, obtaining experimental 3D structures of proteins is still much more difficult …
Critical assessment of methods of protein structure prediction (CASP)—Round XII
This article reports the outcome of the 12th round of Critical Assessment of Structure
Prediction (CASP12), held in 2016. CASP is a community experiment to determine the state …
Prediction (CASP12), held in 2016. CASP is a community experiment to determine the state …
Development of a force field for the simulation of single-chain proteins and protein–protein complexes
The accuracy of atomistic physics-based force fields for the simulation of biological
macromolecules has typically been benchmarked experimentally using biophysical data …
macromolecules has typically been benchmarked experimentally using biophysical data …
GalaxyRefine2: simultaneous refinement of inaccurate local regions and overall protein structure
The 3D structure of a protein can be predicted from its amino acid sequence with high
accuracy for a large fraction of cases because of the availability of large quantities of …
accuracy for a large fraction of cases because of the availability of large quantities of …
Methods for the refinement of protein structure 3D models
R Adiyaman, LJ McGuffin - International journal of molecular sciences, 2019 - mdpi.com
The refinement of predicted 3D protein models is crucial in bringing them closer towards
experimental accuracy for further computational studies. Refinement approaches can be …
experimental accuracy for further computational studies. Refinement approaches can be …
Protein homology model refinement by large-scale energy optimization
H Park, S Ovchinnikov, DE Kim… - Proceedings of the …, 2018 - National Acad Sciences
Proteins fold to their lowest free-energy structures, and hence the most straightforward way
to increase the accuracy of a partially incorrect protein structure model is to search for the …
to increase the accuracy of a partially incorrect protein structure model is to search for the …
Can molecular dynamics simulations improve the structural accuracy and virtual screening performance of GPCR models?
J Kapla, I Rodríguez-Espigares, F Ballante… - PLoS Computational …, 2021 - journals.plos.org
The determination of G protein-coupled receptor (GPCR) structures at atomic resolution has
improved understanding of cellular signaling and will accelerate the development of new …
improved understanding of cellular signaling and will accelerate the development of new …
DeepRefiner: High-accuracy protein structure refinement by deep network calibration
The DeepRefiner webserver, freely available at http://watson. cse. eng. auburn.
edu/DeepRefiner/, is an interactive and fully configurable online system for high-accuracy …
edu/DeepRefiner/, is an interactive and fully configurable online system for high-accuracy …
Evaluation of model refinement in CASP14
AJ Simpkin, F Sánchez Rodríguez… - Proteins: Structure …, 2021 - Wiley Online Library
We report here an assessment of the model refinement category of the 14th round of Critical
Assessment of Structure Prediction (CASP14). As before, predictors submitted up to five …
Assessment of Structure Prediction (CASP14). As before, predictors submitted up to five …