Software for molecular docking: a review
NS Pagadala, K Syed, J Tuszynski - Biophysical reviews, 2017 - Springer
Molecular docking methodology explores the behavior of small molecules in the binding site
of a target protein. As more protein structures are determined experimentally using X-ray …
of a target protein. As more protein structures are determined experimentally using X-ray …
Predicting protein–protein interactions from the molecular to the proteome level
Identification of protein–protein interactions (PPIs) is at the center of molecular biology
considering the unquestionable role of proteins in cells. Combinatorial interactions result in …
considering the unquestionable role of proteins in cells. Combinatorial interactions result in …
[HTML][HTML] Structural biology in the clouds: the WeNMR-EOSC ecosystem
RV Honorato, PI Koukos, B Jiménez-García… - Frontiers in molecular …, 2021 - frontiersin.org
Structural biology aims at characterizing the structural and dynamic properties of biological
macromolecules at atomic details. Gaining insight into three dimensional structures of …
macromolecules at atomic details. Gaining insight into three dimensional structures of …
The HDOCK server for integrated protein–protein docking
Abstract The HDOCK server (http://hdock. phys. hust. edu. cn/) is a highly integrated suite of
homology search, template-based modeling, structure prediction, macromolecular docking …
homology search, template-based modeling, structure prediction, macromolecular docking …
Benchmarking AlphaFold for protein complex modeling reveals accuracy determinants
High‐resolution experimental structural determination of protein–protein interactions has led
to valuable mechanistic insights, yet due to the massive number of interactions and …
to valuable mechanistic insights, yet due to the massive number of interactions and …
[PDF][PDF] ATG9A and ATG2A form a heteromeric complex essential for autophagosome formation
Summary ATG9A and ATG2A are essential core members of the autophagy machinery.
ATG9A is a lipid scramblase that allows equilibration of lipids across a membrane bilayer …
ATG9A is a lipid scramblase that allows equilibration of lipids across a membrane bilayer …
COVID-19 spike-host cell receptor GRP78 binding site prediction
Objectives Understanding the novel coronavirus (COVID-19) mode of host cell recognition
may help to fight the disease and save lives. The spike protein of coronaviruses is the main …
may help to fight the disease and save lives. The spike protein of coronaviruses is the main …
Independent se (3)-equivariant models for end-to-end rigid protein docking
Protein complex formation is a central problem in biology, being involved in most of the cell's
processes, and essential for applications, eg drug design or protein engineering. We tackle …
processes, and essential for applications, eg drug design or protein engineering. We tackle …
HawkDock: a web server to predict and analyze the protein–protein complex based on computational docking and MM/GBSA
Protein–protein interactions (PPIs) play an important role in the different functions of cells,
but accurate prediction of the three-dimensional structures for PPIs is still a notoriously …
but accurate prediction of the three-dimensional structures for PPIs is still a notoriously …
Natural products may interfere with SARS-CoV-2 attachment to the host cell
AA Elfiky - Journal of Biomolecular Structure and Dynamics, 2021 - Taylor & Francis
SARS-CoV-2 has been emerged in December 2019 in China, causing deadly (5% mortality)
pandemic pneumonia, termed COVID-19. More than one host-cell receptor is reported to be …
pandemic pneumonia, termed COVID-19. More than one host-cell receptor is reported to be …