Computational strategies for protein conformational ensemble detection
AR Atilgan, C Atilgan - Current Opinion in Structural Biology, 2022 - Elsevier
Protein function is constrained by the three-dimensional structure but is delineated by its
dynamics. This framework must satisfy specificity of function along with adaptability to …
dynamics. This framework must satisfy specificity of function along with adaptability to …
Parameterizing elastic network models to capture the dynamics of proteins
Coarse‐grained normal mode analyses of protein dynamics rely on the idea that the
geometry of a protein structure contains enough information for computing its fluctuations …
geometry of a protein structure contains enough information for computing its fluctuations …
Predicting protein functional motions: an old recipe with a new twist
S Grudinin, E Laine, A Hoffmann - Biophysical journal, 2020 - cell.com
Large macromolecules, including proteins and their complexes, very often adopt multiple
conformations. Some of them can be seen experimentally, for example with x-ray …
conformations. Some of them can be seen experimentally, for example with x-ray …
Principal component analysis and normal mode analysis of elastic network models and their applications to myosin motor proteins
Z Liu - 2022 - search.proquest.com
The intrinsic dynamics of proteins can be used to analyze the thermal fluctuations, functional
modes, collective motions, and correlated movements. The principal component analysis …
modes, collective motions, and correlated movements. The principal component analysis …
HOPMA: Boosting protein functional dynamics with colored contact maps
E Laine, S Grudinin - The Journal of Physical Chemistry B, 2021 - ACS Publications
In light of the recent very rapid progress in protein structure prediction, accessing the
multitude of functional protein states is becoming more central than ever before. Indeed …
multitude of functional protein states is becoming more central than ever before. Indeed …