Macromolecular modeling and design in Rosetta: recent methods and frameworks
The Rosetta software for macromolecular modeling, docking and design is extensively used
in laboratories worldwide. During two decades of development by a community of …
in laboratories worldwide. During two decades of development by a community of …
Advances in applying computer-aided drug design for neurodegenerative diseases
Neurodegenerative diseases (NDs) including Alzheimer's disease, Parkinson's disease,
amyotrophic lateral sclerosis, and Huntington's disease are incurable and affect millions of …
amyotrophic lateral sclerosis, and Huntington's disease are incurable and affect millions of …
Spike-dependent opsonization indicates both dose-dependent inhibition of phagocytosis and that non-neutralizing antibodies can confer protection to SARS-CoV-2
W Bahnan, S Wrighton, M Sundwall… - Frontiers in …, 2022 - frontiersin.org
Spike-specific antibodies are central to effective COVID19 immunity. Research efforts have
focused on antibodies that neutralize the ACE2-Spike interaction but not on non-neutralizing …
focused on antibodies that neutralize the ACE2-Spike interaction but not on non-neutralizing …
Leveraging crosslinking mass spectrometry in structural and cell biology
A Graziadei, J Rappsilber - Structure, 2022 - cell.com
Crosslinking mass spectrometry (crosslinking-MS) is a versatile tool providing structural
insights into protein conformation and protein-protein interactions. Its medium-resolution …
insights into protein conformation and protein-protein interactions. Its medium-resolution …
Integration of mass spectrometry data for structural biology
Mass spectrometry (MS) is increasingly being used to probe the structure and dynamics of
proteins and the complexes they form with other macromolecules. There are now several …
proteins and the complexes they form with other macromolecules. There are now several …
[HTML][HTML] Hybrid methods for combined experimental and computational determination of protein structure
JT Seffernick, S Lindert - The Journal of chemical physics, 2020 - pubs.aip.org
Knowledge of protein structure is paramount to the understanding of biological function,
developing new therapeutics, and making detailed mechanistic hypotheses. Therefore …
developing new therapeutics, and making detailed mechanistic hypotheses. Therefore …
Label-free visual proteomics: Coupling MS-and EM-based approaches in structural biology
Combining diverse experimental structural and interactomic methods allows for the
construction of comprehensible molecular encyclopedias of biological systems. Typically …
construction of comprehensible molecular encyclopedias of biological systems. Typically …
Protein shape sampled by ion mobility mass spectrometry consistently improves protein structure prediction
Ion mobility (IM) mass spectrometry provides structural information about protein shape and
size in the form of an orientationally-averaged collision cross-section (CCSIM). While IM …
size in the form of an orientationally-averaged collision cross-section (CCSIM). While IM …
Protein structure prediction from NMR hydrogen–deuterium exchange data
Amide hydrogen–deuterium exchange (HDX) has long been used to determine regional
flexibility and binding sites in proteins; however, the data are too sparse for full structural …
flexibility and binding sites in proteins; however, the data are too sparse for full structural …
Protein structure prediction with mass spectrometry data
Knowledge of protein structure is crucial to our understanding of biological function and is
routinely used in drug discovery. High-resolution techniques to determine the three …
routinely used in drug discovery. High-resolution techniques to determine the three …