Flexible Fitting of Biomolecular Structures to Atomic Force Microscopy Images via Biased Molecular Simulations.
Sign Up to like & getrecommendations! Published in 2020 at "Journal of chemical theory and computation"
DOI: 10.1021/acs.jctc.9b00991
Abstract: High-speed (HS) atomic force microscopy (AFM) is a prominent imaging technology that observes large-scale structural dynamics of biomolecules near the physiological condition, but the AFM data are limited to the surface shape of specimens. Rigid-body… read more here.
Keywords: microscopy; afm image; flexible fitting; method ... See more keywords
Flexible Fitting of PROTAC Concentration–Response Curves with Changepoint Gaussian Processes
Sign Up to like & getrecommendations! Published in 2021 at "SLAS Discovery"
DOI: 10.1177/24725552211028142
Abstract: A proteolysis-targeting chimera (PROTAC) is a new technology that marks proteins for degradation in a highly specific manner. During screening, PROTAC compounds are tested in concentration–response (CR) assays to determine their potency, and parameters such… read more here.
Keywords: gaussian processes; concentration response; flexible fitting; changepoint gaussian ... See more keywords
Application of Homology Modeling by Enhanced Profile–Profile Alignment and Flexible-Fitting Simulation to Cryo-EM Based Structure Determination
Sign Up to like & getrecommendations! Published in 2022 at "International Journal of Molecular Sciences"
DOI: 10.3390/ijms23041977
Abstract: Application of cryo-electron microscopy (cryo-EM) is crucially important for ascertaining the atomic structure of large biomolecules such as ribosomes and protein complexes in membranes. Advances in cryo-EM technology and software have made it possible to… read more here.
Keywords: application; flexible fitting; structure; profile profile ... See more keywords