Theory of protein folding

JN Onuchic, PG Wolynes - Current opinion in structural biology, 2004 - Elsevier
Protein folding should be complex. Proteins organize themselves into specific three-
dimensional structures, through a myriad of conformational changes. The classical view of …

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 …

AWSEM-MD: protein structure prediction using coarse-grained physical potentials and bioinformatically based local structure biasing

A Davtyan, NP Schafer, W Zheng… - The Journal of …, 2012 - ACS Publications
The associative memory, water mediated, structure and energy model (AWSEM) is a coarse-
grained protein force field. AWSEM contains physically motivated terms, such as hydrogen …

[HTML][HTML] Applications of molecular dynamics simulation in structure prediction of peptides and proteins

H Geng, F Chen, J Ye, F Jiang - Computational and structural …, 2019 - Elsevier
Compared with rapid accumulation of protein sequences from high-throughput DNA
sequencing, obtaining experimental 3D structures of proteins is still much more difficult …

Water in protein structure prediction

GA Papoian, J Ulander, MP Eastwood… - Proceedings of the …, 2004 - National Acad Sciences
Proteins have evolved to use water to help guide folding. A physically motivated,
nonpairwise-additive model of water-mediated interactions added to a protein structure …

Ab initio protein structure prediction

C Hardin, TV Pogorelov, Z Luthey-Schulten - Current opinion in structural …, 2002 - Elsevier
Steady progress has been made in the field of ab initio protein folding. A variety of methods
now allow the prediction of low-resolution structures of small proteins or protein fragments …

Three-dimensional genome architecture persists in a 52,000-year-old woolly mammoth skin sample

M Sandoval-Velasco, O Dudchenko, JA Rodríguez… - Cell, 2024 - cell.com
Analyses of ancient DNA typically involve sequencing the surviving short oligonucleotides
and aligning to genome assemblies from related, modern species. Here, we report that skin …

Exploring the free energy landscape of nucleosomes

B Zhang, W Zheng, GA Papoian… - Journal of the American …, 2016 - ACS Publications
The nucleosome is the fundamental unit for packaging the genome. A detailed molecular
picture for its conformational dynamics is crucial for understanding transcription and gene …

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 …

Taking a walk on a landscape

CL Brooks III, JN Onuchic, DJ Wales - Science, 2001 - science.org
The folding of proteins, the complex behavior of glasses, and the structure and dynamics of
atomic and molecular clusters have long been studied in separate disciplines. In recent …