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Prediction of protein assemblies, the next frontier: The CASP14‐CAPRI experiment
We present the results for CAPRI Round 50, the fourth joint CASP‐CAPRI protein assembly
prediction challenge. The Round comprised a total of twelve targets, including six dimers …
prediction challenge. The Round comprised a total of twelve targets, including six dimers …
GRAMM web server for protein docking
Prediction of the structure of protein complexes by docking methods is a well-established
research field. The intermolecular energy landscapes in protein–protein interactions can be …
research field. The intermolecular energy landscapes in protein–protein interactions can be …
Blind prediction of homo‐and hetero‐protein complexes: The CASP13‐CAPRI experiment
We present the results for CAPRI Round 46, the third joint CASP‐CAPRI protein assembly
prediction challenge. The Round comprised a total of 20 targets including 14 homo …
prediction challenge. The Round comprised a total of 20 targets including 14 homo …
Improved antibody‐specific epitope prediction using alphafold and abadapt
Antibodies recognize their cognate antigens with high affinity and specificity, but the
prediction of binding sites on the antigen (epitope) corresponding to a specific antibody …
prediction of binding sites on the antigen (epitope) corresponding to a specific antibody …
AbAdapt: an adaptive approach to predicting antibody–antigen complex structures from sequence
Motivation The scoring of antibody–antigen docked poses starting from unbound homology
models has not been systematically optimized for a large and diverse set of input …
models has not been systematically optimized for a large and diverse set of input …
Application of docking methodologies to modeled proteins
Protein docking is essential for structural characterization of protein interactions. Besides
providing the structure of protein complexes, modeling of proteins and their complexes is …
providing the structure of protein complexes, modeling of proteins and their complexes is …
HMI-PRED: a web server for structural prediction of host-microbe interactions based on interface mimicry
E Guven-Maiorov, A Hakouz, S Valjevac… - Journal of molecular …, 2020 - Elsevier
Microbes, commensals, and pathogens, control the numerous functions in the host cells.
They can alter host signaling and modulate immune surveillance by interacting with the host …
They can alter host signaling and modulate immune surveillance by interacting with the host …
Computational approaches to macromolecular interactions in the cell
Highlights•Structural modeling of a cell is an evolving strategic direction.•Experimental
techniques provide data and validation for the modeling.•Key modeling approaches to …
techniques provide data and validation for the modeling.•Key modeling approaches to …
ClusPro LigTBM: Automated template-based small molecule docking
The template-based approach has been essential for achieving high-quality models in the
recent rounds of blind protein-protein docking competition CAPRI (Critical Assessment of …
recent rounds of blind protein-protein docking competition CAPRI (Critical Assessment of …
Integrating ab initio and template-based algorithms for protein–protein complex structure prediction
Motivation Template-based and template-free methods have both been widely used in
predicting the structures of protein–protein complexes. Template-based modeling is effective …
predicting the structures of protein–protein complexes. Template-based modeling is effective …