Signaling pathways allow cells to detect and respond to a wide variety of chemical (eg Ca2+ or chemokine proteins) and physical stimuli (eg, sheer stress, light). Together, these …
The existence and functioning of intrinsically disordered proteins (IDPs) challenge the classical structure-function paradigm that equates function with a well-defined 3D structure …
Allostery has come of age; the number, breadth and functional roles of documented proteinallostery cases are rising quickly. Since all dynamic proteins are potentially allosteric …
CL McClendon, G Friedland, DL Mobley… - Journal of chemical …, 2009 - ACS Publications
Allostery describes altered protein function at one site due to a perturbation at another site. One mechanism of allostery involves correlated motions, which can occur even in the …
Protein function and dynamics are closely related; however, accurate dynamics information is difficult to obtain. Here based on a carefully assembled data set derived from experimental …
L Li, B Wang, SO Meroueh - Journal of chemical information and …, 2011 - ACS Publications
The community structure–activity resource (CSAR) data sets are used to develop and test a support vector machine-based scoring function in regression mode (SVR). Two scoring …
S Grutsch, S Brüschweiler… - PLoS computational …, 2016 - journals.plos.org
Nuclear magnetic resonance (NMR) spectroscopy provides a unique toolbox of experimental probes for studying dynamic processes on a wide range of timescales, ranging …
A dense interplay between structure and dynamics underlies the working of proteins, especially enzymes. Protein kinases are molecular switches that are optimized for their …
AAST Ribeiro, V Ortiz - The Journal of Physical Chemistry B, 2015 - ACS Publications
Understanding how allosteric proteins respond to changes in their environment is a major goal of current biological research. We show that these responses can be quantified by …