CABS-flex 2.0: a web server for fast simulations of flexibility of protein structures
Classical simulations of protein flexibility remain computationally expensive, especially for large proteins. A few years ago, we developed a fast method for predicting protein structure fluctuations that uses a single protein model as the input. The method has been made available as the CABS-flex web server and applied in numerous studies of protein structure-function relationships. Here, we present a major update of the CABS-flex web server to version 2.0. The new features include: extension of the method to significantly larger and multimeric proteins, customizable distance restraints and simulation parameters, contact maps and a new, enhanced web server interface. CABS-flex 2.0 is freely available at http://biocomp.chem.uw.edu.pl/CABSflex2
Code (0)
등록된 구현이 없습니다.
Similar Papers 제목 키워드 기반
Highly flexible protein-peptide docking using CABS-dock
Protein-peptide molecular docking is a difficult modeling problem. It is even more challenging when significant conformational changes that may occur during the binding process need to be predicted. In this chapter, we d…
Molecular DockingFlexible protein-peptide docking using CABS-dock with knowledge about the binding site
Despite considerable efforts, structural prediction of protein-peptide complexes is still a very challenging task, mainly due to two reasons: high flexibility of the peptides and transient character of their interactions…
Modeling of protein-peptide interactions using the CABS-dock web server for binding site search and flexible docking
Protein-peptide interactions play essential functional roles in living organisms and their structural characterization is a hot subject of current experimental and theoretical research. Computational modeling of the stru…
Towards protein-protein docking with significant structural changes using CABS-dock
The protein-protein interactions (PPIs) are crucial for understanding the majority of cellular processes. PPIs play important role in gene transcription regulation, cellular signaling, molecular basis of immune response …
Drug DiscoveryMolecular DockingConcept-Aware Batch Sampling Improves Language-Image Pretraining
What data should a vision-language model be trained on? To answer this question, many data curation efforts center on the quality of a dataset. However, most of these existing methods are (i) offline, i.e. they produce a…