Frustration in biomolecules

DU Ferreiro, EA Komives, PG Wolynes - Quarterly reviews of …, 2014 - cambridge.org
Biomolecules are the prime information processing elements of living matter. Most of these
inanimate systems are polymers that compute their own structures and dynamics using as …

Protein folding thermodynamics and dynamics: where physics, chemistry, and biology meet

E Shakhnovich - Chemical reviews, 2006 - ACS Publications
As was noted in our recent review, 1 the protein folding field underwent a cyclic
development. Initially, protein folding was viewed as a strictly experimental field belonging to …

Native contacts determine protein folding mechanisms in atomistic simulations

RB Best, G Hummer, WA Eaton - Proceedings of the …, 2013 - National Acad Sciences
The recent availability of long equilibrium simulations of protein folding in atomistic detail for
more than 10 proteins allows us to identify the key interactions driving folding. We find that …

Machine learning meets physics: A two-way street

H Levine, Y Tu - Proceedings of the National Academy of Sciences, 2024 - pnas.org
This article introduces a special issue on the interaction between the rapidly expanding field
of machine learning and ongoing research in physics. The first half of the papers in this …

An all‐atom structure‐based potential for proteins: bridging minimal models with all‐atom empirical forcefields

PC Whitford, JK Noel, S Gosavi, A Schug… - Proteins: Structure …, 2009 - Wiley Online Library
Protein dynamics take place on many time and length scales. Coarse‐grained structure‐
based \bf(G\overlineo) models utilize the funneled energy landscape theory of protein …

Evolution, energy landscapes and the paradoxes of protein folding

PG Wolynes - Biochimie, 2015 - Elsevier
Protein folding has been viewed as a difficult problem of molecular self-organization. The
search problem involved in folding however has been simplified through the evolution of …

Conformational transitions of adenylate kinase: switching by cracking

PC Whitford, O Miyashita, Y Levy, JN Onuchic - Journal of molecular …, 2007 - Elsevier
Conformational heterogeneity in proteins is known to often be the key to their function. We
present a coarse grained model to explore the interplay between protein structure, folding …

Single-molecule fluorescence reveals sequence-specific misfolding in multidomain proteins

MB Borgia, A Borgia, RB Best, A Steward, D Nettels… - Nature, 2011 - nature.com
A large range of debilitating medical conditions is linked to protein misfolding, which may
compete with productive folding particularly in proteins containing multiple domains …

Protein frustratometer: a tool to localize energetic frustration in protein molecules

M Jenik, RG Parra, LG Radusky… - Nucleic acids …, 2012 - academic.oup.com
The frustratometer is an energy landscape theory-inspired algorithm that aims at quantifying
the location of frustration manifested in protein molecules. Frustration is a useful concept for …

Energy landscapes and solved protein–folding problems

PG Wolynes - … Transactions of the Royal Society A …, 2005 - royalsocietypublishing.org
Energy–landscape theory has led to much progress in protein folding kinetics, protein
structure prediction and protein design. Funnel landscapes describe protein folding and …