Convergence is not correctness: context-dependent performance of enhanced-sampling methods across biological complexity

C Christopher Kang C Cheng Giuseppe Chen C Chenyu Tang (Electrical Engineering Division, Department of Engineering, University of Cambridge) S Sergio Contreras Arredondo M Mengchen Zhou H Haohao Fu (Tianjin Key Laboratory of Biosensing and Molecular Recognition, Research Center for Analytical Science, Frontiers Science Center for New Organic Matter, College of Chemistry) L Lan Yang (School of Pharmaceutical Sciences) J James C. Gumbart (School of Physics) A Ashkan Fakharzadeh (Theoretical and Computational Biophysics Group) M Mahmoud Moradi (Department of Chemistry and Biochemistry) H Haochuan Chen R Rui Sun J Jonathan Harris B Benoît Roux (Department of Chemistry) C Christophe Chipot (Laboratoire International Associé CNRS and University of Illinois at Urbana−Champaign, LPCT, UMR CNRS 7019)

Article Details

Volume / Issue Vol. 17, Issue 1
Published June 12, 2026
ISSN 2041-1723
Publisher Nature Portfolio

Journal Info

Nature Communications

Nature Portfolio

ISSN: 2041-1723 Open Access Life Sciences

Authors (15)

C

Christopher Kang

C

Cheng Giuseppe Chen

C

Chenyu Tang

Electrical Engineering Division, Department of Engineering, University of Cambridge

S

Sergio Contreras Arredondo

M

Mengchen Zhou

H

Haohao Fu

Tianjin Key Laboratory of Biosensing and Molecular Recognition, Research Center for Analytical Science, Frontiers Science Center for New Organic Matter, College of Chemistry

L

Lan Yang

School of Pharmaceutical Sciences

J

James C. Gumbart

School of Physics

A

Ashkan Fakharzadeh

Theoretical and Computational Biophysics Group

M

Mahmoud Moradi

Department of Chemistry and Biochemistry

H

Haochuan Chen

R

Rui Sun

J

Jonathan Harris

B

Benoît Roux

Department of Chemistry

C

Christophe Chipot

Laboratoire International Associé CNRS and University of Illinois at Urbana−Champaign, LPCT, UMR CNRS 7019