Perspective: Advances, challenges, and insight for predictive coarse-grained models
WG Noid - The Journal of Physical Chemistry B, 2023 - ACS Publications
By averaging over atomic details, coarse-grained (CG) models provide profound
computational and conceptual advantages for studying soft materials. In particular, bottom …
computational and conceptual advantages for studying soft materials. In particular, bottom …
Coarse-grained protein models and their applications
The traditional computational modeling of protein structure, dynamics, and interactions
remains difficult for many protein systems. It is mostly due to the size of protein …
remains difficult for many protein systems. It is mostly due to the size of protein …
Stress-triggered phase separation is an adaptive, evolutionarily tuned response
JA Riback, CD Katanski, JL Kear-Scott, EV Pilipenko… - Cell, 2017 - cell.com
In eukaryotic cells, diverse stresses trigger coalescence of RNA-binding proteins into stress
granules. In vitro, stress-granule-associated proteins can demix to form liquids, hydrogels …
granules. In vitro, stress-granule-associated proteins can demix to form liquids, hydrogels …
Perspective: Coarse-grained models for biomolecular systems
WG Noid - The Journal of chemical physics, 2013 - pubs.aip.org
By focusing on essential features, while averaging over less important details, coarse-
grained (CG) models provide significant computational and conceptual advantages with …
grained (CG) models provide significant computational and conceptual advantages with …
Diffusion, crowding & protein stability in a dynamic molecular model of the bacterial cytoplasm
SR McGuffee, AH Elcock - PLoS computational biology, 2010 - journals.plos.org
A longstanding question in molecular biology is the extent to which the behavior of
macromolecules observed in vitro accurately reflects their behavior in vivo. A number of …
macromolecules observed in vitro accurately reflects their behavior in vivo. A number of …
PEP-FOLD: an online resource for de novo peptide structure prediction
J Maupetit, P Derreumaux, P Tuffery - Nucleic acids research, 2009 - academic.oup.com
Rational peptide design and large-scale prediction of peptide structure from sequence
remain a challenge for chemical biologists. We present PEP-FOLD, an online service, aimed …
remain a challenge for chemical biologists. We present PEP-FOLD, an online service, aimed …
4.4 Å cryo‐EM structure of an enveloped alphavirus Venezuelan equine encephalitis virus
Venezuelan equine encephalitis virus (VEEV), a member of the membrane‐containing
Alphavirus genus, is a human and equine pathogen, and has been developed as a …
Alphavirus genus, is a human and equine pathogen, and has been developed as a …
[HTML][HTML] Modeling of protein–peptide interactions using the CABS-dock web server for binding site search and flexible docking
Protein–peptide interactions play essential functional roles in living organisms and their
structural characterization is a hot subject of current experimental and theoretical research …
structural characterization is a hot subject of current experimental and theoretical research …
Proline-rich salivary proteins have extended conformations
H Boze, T Marlin, D Durand, J Pérez, A Vernhet… - Biophysical journal, 2010 - cell.com
Three basic proline-rich salivary proteins have been produced through the recombinant
route. IB5 is a small basic proline-rich protein that is involved in the binding of plant tannins …
route. IB5 is a small basic proline-rich protein that is involved in the binding of plant tannins …
[PDF][PDF] Protease profiling of liver fibrosis reveals the ADAM metallopeptidase with thrombospondin type 1 motif, 1 as a central activator of transforming growth factor …
During chronic liver disease, tissue remodeling leads to dramatic changes and
accumulation of matrix components. Matrix metalloproteases and their inhibitors have been …
accumulation of matrix components. Matrix metalloproteases and their inhibitors have been …