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 …
Computational protein structure refinement: almost there, yet still so far to go
M Feig - Wiley Interdisciplinary Reviews: Computational …, 2017 - Wiley Online Library
Protein structures are essential in modern biology yet experimental methods are far from
being able to catch up with the rapid increase in available genomic data. Computational …
being able to catch up with the rapid increase in available genomic data. Computational …
Improved protein structure refinement guided by deep learning based accuracy estimation
We develop a deep learning framework (DeepAccNet) that estimates per-residue accuracy
and residue-residue distance signed error in protein models and uses these predictions to …
and residue-residue distance signed error in protein models and uses these predictions to …
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 …
High throughput virtual screening reveals SARS-CoV-2 multi-target binding natural compounds to lead instant therapy for COVID-19 treatment
The present-day world is severely suffering from the recently emerged SARS-CoV-2. The
lack of prescribed drugs for the deadly virus has stressed the likely need to identify novel …
lack of prescribed drugs for the deadly virus has stressed the likely need to identify novel …
Building structural models of a whole mycoplasma cell
Building structural models of entire cells has been a long-standing cross-discipline
challenge for the research community, as it requires an unprecedented level of integration …
challenge for the research community, as it requires an unprecedented level of integration …
GalaxyRefineComplex: Refinement of protein-protein complex model structures driven by interface repacking
Protein-protein docking methods have been widely used to gain an atomic-level
understanding of protein interactions. However, docking methods that employ low-resolution …
understanding of protein interactions. However, docking methods that employ low-resolution …
Experimental accuracy in protein structure refinement via molecular dynamics simulations
Refinement is the last step in protein structure prediction pipelines to convert approximate
homology models to experimental accuracy. Protocols based on molecular dynamics (MD) …
homology models to experimental accuracy. Protocols based on molecular dynamics (MD) …
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 …