Results 31 to 40 of about 3,678,372 (337)
Scientific Reports, 2020 The zinc transcriptional regulator (ZitR) functions as a metalloregulator that fine tunes transcriptional regulation through zinc-dependent DNA binding. However, the molecular mechanism of zinc-driven allosteric control of the DNA binding to ZitR remains
Xinheng He +7 more
doaj +1 more source
Nature Communications, 2020 Multidimensional fitness landscapes provide insights into the molecular basis of laboratory and natural evolution. To date, such efforts usually focus on limited protein families and a single enzyme trait, with little concern about the relationship ...
C. Acevedo‐Rocha +9 more
semanticscholar +1 more source
Investigation of Structural Dynamics of Enzymes and Protonation States of Substrates Using Computational Tools. [PDF]
, 2016 This review discusses the use of molecular modeling tools, together with existing experimental findings, to provide a complete atomic-level description of enzyme dynamics and function.
Chang, Chia-En A +3 more
core +2 more sources
Conformational dynamics modulate the catalytic activity of the molecular chaperone Hsp90
Nature Communications, 2020 The heat shock protein 90 (Hsp90) is a molecular chaperone that employs the free energy of ATP hydrolysis to control the folding and activation of several client proteins in the eukaryotic cell.
S. L. Mader +8 more
semanticscholar +1 more source
Sampling of conformational ensemble for virtual screening using molecular dynamics simulations and normal mode analysis [PDF]
, 2015 Aim: Molecular dynamics simulations and normal mode analysis are well-established approaches to generate receptor conformational ensembles (RCEs) for ligand docking and virtual screening.
David Perahia +10 more
core +4 more sources
The Role of Conformational Dynamics and Allostery in Modulating Protein Evolution.
Annual Review of Biophysics, 2020 Advances in sequencing techniques and statistical methods have made it possible not only to predict sequences of ancestral proteins but also to identify thousands of mutations in the human exome, some of which are disease associated.
P. Campitelli +4 more
semanticscholar +1 more source
Molecular dynamics as an approach to study prion protein misfolding and the effect of pathogenic mutations [PDF]
, 2011 Computer simulation of protein dynamics offers unique high-resolution information that complements experiment. Using experimentally derived structures of the natively folded prion protein (PrP), physically realistic dynamics and conformational changes ...
Daggett, Valerie, van der Kamp, Marc W
core +2 more sources
PLoS ONE, 2012 Exchange proteins directly activated by cAMP (EPACs) are important allosteric regulators of cAMP-mediated signal transduction pathways. To understand the molecular mechanism of EPAC activation, we have combined site-directed mutagenesis, X-ray ...
Mark A White +6 more
doaj +1 more source
The dynamic landscape of transcription initiation in yeast mitochondria
Nature Communications, 2020 Conformational dynamics during the early stage of transcription is crucial to understanding the regulation of transcription efficiency and fidelity.
Byeong-Kwon Sohn +9 more
doaj +1 more source
Conformational dynamics of vesicles [PDF]
Proceedings of the National Academy of Sciences, 1999 The transport of ions and molecules through membranes is a key ingredient to many biophysical processes. For example, contemporary attempts for gene therapy require transport of DNA fragments through the cellular and nuclear membranes (1); signaling depends on ionic transport through dynamic pores in membranes (see, for example, ref. 2); efficient drug
openaire +2 more sources