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 …

Coarse-grained protein models and their applications

S Kmiecik, D Gront, M Kolinski, L Wieteska… - Chemical …, 2016 - ACS Publications
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 …

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 …

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 …

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 …

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 …

4.4 Å cryo‐EM structure of an enveloped alphavirus Venezuelan equine encephalitis virus

R Zhang, CF Hryc, Y Cong, X Liu, J Jakana… - The EMBO …, 2011 - embopress.org
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 …

[HTML][HTML] Modeling of protein–peptide interactions using the CABS-dock web server for binding site search and flexible docking

M Blaszczyk, M Kurcinski, M Kouza, L Wieteska… - Methods, 2016 - Elsevier
Protein–peptide interactions play essential functional roles in living organisms and their
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 …

[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 …

K Bourd‐Boittin, D Bonnier, A Leyme, B Mari… - …, 2011 - Wiley Online Library
During chronic liver disease, tissue remodeling leads to dramatic changes and
accumulation of matrix components. Matrix metalloproteases and their inhibitors have been …