Advances to tackle backbone flexibility in protein docking
A Harmalkar, JJ Gray - Current opinion in structural biology, 2021 - Elsevier
Computational docking methods can provide structural models of protein–protein
complexes, but protein backbone flexibility upon association often thwarts accurate …
complexes, but protein backbone flexibility upon association often thwarts accurate …
Prediction of protein assemblies, the next frontier: The CASP14‐CAPRI experiment
MF Lensink, G Brysbaert, T Mauri… - Proteins: Structure …, 2021 - Wiley Online Library
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 …
[HTML][HTML] Investigating the competition between ACE2 natural molecular interactors and SARS-CoV-2 candidate inhibitors
The SARS-CoV-2 pandemic still poses a threat to the global health as the virus continues
spreading in most countries. Therefore, the identification of molecules capable of inhibiting …
spreading in most countries. Therefore, the identification of molecules capable of inhibiting …
Design of peptides with high affinity binding to a monoclonal antibody as a basis for immunotherapy
About half of the US population is sensitized to one or more allergens, as found by a
National Health and Nutrition Examination Survey (NHANES). The most common treatment …
National Health and Nutrition Examination Survey (NHANES). The most common treatment …
Performance of human and server prediction in CAPRI rounds 38‐45
CAPRI challenges offer a variety of blind tests for protein‐protein interaction prediction. In
CAPRI Rounds 38‐45, we generated a set of putative binding modes for each target with an …
CAPRI Rounds 38‐45, we generated a set of putative binding modes for each target with an …
Protein-protein docking with large-scale backbone flexibility
Abstract Structure prediction of protein-protein complexes is one of the most critical
challenges in computational structural biology. It is often difficult to predict the complex …
challenges in computational structural biology. It is often difficult to predict the complex …