Hierarchical modeling of activation mechanisms in the ABL and EGFR kinase domains: thermodynamic and mechanistic catalysts of kinase activation by cancer mutations. [PDF]
PLoS Computational Biology, 2009 Structural and functional studies of the ABL and EGFR kinase domains have recently suggested a common mechanism of activation by cancer-causing mutations.
Anshuman Dixit, Gennady M Verkhivker
doaj +1 more source
Conformational Dynamics of the Plug Domain of the SecYEG Protein-conducting Channel [PDF]
, 2011 The central pore of the SecYEG preprotein-conducting channel is closed at the periplasmic face of the membrane by a plug domain. To study its conformational dynamics, the plug was labeled site-specifically with an environment-sensitive fluorophore.
Arkowitz +44 more
core +2 more sources
Conformational Dynamics Simulations of Proteins [PDF]
, 1999 Molecular dynamics (MD) simulations of proteins provide descriptions of atomic motions, which allow to relate observable properties of proteins to microscopic processes. Unfortunately, such MD simulations require an enormous amount of computer time and, therefore, are limited to time scales of nanoseconds.
Eichinger, Markus +10 more
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A new type of conformal dynamics [PDF]
Annals of Physics, 2004 We consider the Lagrangian particle model introduced in [hep-th/9612017] for zero mass but nonvanishing second central charge of the planar Galilei group. Extended by a magnetic vortex or a Coulomb potential the model exibits conformal symmetry. In the former case we observe an additional SO(2,1) hidden symmetry.
Stichel, P. C., Zakrzewski, W. J.
openaire +2 more sources
Mapping the evolution of mitochondrial complex I through structural variation
FEBS Letters, EarlyView.Respiratory complex I (CI) is crucial for bioenergetic metabolism in many prokaryotes and eukaryotes. It is composed of a conserved set of core subunits and additional accessory subunits that vary depending on the organism. Here, we categorize CI subunits from available structures to map the evolution of CI across eukaryotes. Respiratory complex I (CI)
Dong‐Woo Shin +2 more
wiley +1 more source
Mix-and-inject XFEL crystallography reveals gated conformational dynamics during enzyme catalysis
Proceedings of the National Academy of Sciences of the United States of America, 2019 Significance Protein structures fluctuate owing to thermal motion and in response to functional changes such as ligand binding. As a consequence, it is challenging to determine which protein motions are functionally most important at equilibrium. Enzymes
M. Dasgupta +24 more
semanticscholar +1 more source
Opinion dynamics and wisdom under conformity [PDF]
Journal of Economic Dynamics and Control, 2014 zbMATH Open Web Interface contents unavailable due to conflicting licenses.
Berno Buechel +2 more
openaire +10 more sources
Reciprocal control of viral infection and phosphoinositide dynamics
FEBS Letters, EarlyView.Phosphoinositides, although scarce, regulate key cellular processes, including membrane dynamics and signaling. Viruses exploit these lipids to support their entry, replication, assembly, and egress. The central role of phosphoinositides in infection highlights phosphoinositide metabolism as a promising antiviral target.
Marie Déborah Bancilhon, Bruno Mesmin
wiley +1 more source
Conformational and functional analysis of molecular dynamics trajectories by Self-Organising Maps
BMC Bioinformatics, 2011 Background Molecular dynamics (MD) simulations are powerful tools to investigate the conformational dynamics of proteins that is often a critical element of their function.
Stella Fabio +3 more
doaj +1 more source
Conformational Dynamics in Asymmetric Catalysis: Is Catalyst Flexibility a Design Element?
Synthesis, 2019 Traditionally, highly selective low molecular weight catalysts have been designed to contain rigidifying structural elements. As a result, many proposed stereochemical models rely on steric repulsion for explaining the observed selectivity.
J. Crawford, M. Sigman
semanticscholar +1 more source