The energy landscapes and motions of proteins

H Frauenfelder, SG Sligar, PG Wolynes - Science, 1991 - science.org
Recent experiments, advances in theory, and analogies to other complex systems such as
glasses and spin glasses yield insight into protein dynamics. The basis of the understanding …

Monte Carlo-minimization approach to the multiple-minima problem in protein folding.

Z Li, HA Scheraga - … of the National Academy of Sciences, 1987 - National Acad Sciences
A Monte Carlo-minimization method has been developed to overcome the multiple-minima
problem. The Metropolis Monte Carlo sampling, assisted by energy minimization, surmounts …

Molecular dynamics of water at the protein− solvent interface

AR Bizzarri, S Cannistraro - The Journal of Physical Chemistry B, 2002 - ACS Publications
The use of molecular dynamics simulation to investigate the properties of hydration water
around proteins is outlined. A variety of structural and dynamical properties of the protein …

Analysis of the backbone dynamics of interleukin-1. beta. using two-dimensional inverse detected heteronuclear nitrogen-15-proton NMR spectroscopy

GM Clore, PC Driscoll, PT Wingfield… - Biochemistry, 1990 - ACS Publications
Revised Manuscript Received May 1, 1990 abstract: The backbone dynamics of uniformly
15N-labeled interleukin-1/3 are investigated by using two-dimensional inverse detected …

Protein dynamics in enzymatic catalysis: exploration of dihydrofolate reductase

JL Radkiewicz, CL Brooks - Journal of the American Chemical …, 2000 - ACS Publications
The overall motions and atomic fluctuations of DHFR are calculated using molecular
dynamics simulations to explore potential links between catalysis and dynamics in this …

Ligand binding to heme proteins: connection between dynamics and function

PJ Steinbach, A Ansari, J Berendzen, D Braunstein… - Biochemistry, 1991 - ACS Publications
Department of Physics, University of Illinois at Urbana-Champaign, 1110 West Green Street,
Urbana, Illinois 61801 Received August 6, 1990; Revised Manuscript Received November …

Aspects of protein reaction dynamics: Deviations from simple behavior

M Karplus - The Journal of Physical Chemistry B, 2000 - ACS Publications
Proteins are complex systems so that their reactions may have characteristics not often
observed in small molecules. Two common aspects of small molecule reactions are an …

Nonlinear kinetics and new approaches to complex reaction mechanisms

J Ross, MO Vlad - Annual review of physical chemistry, 1999 - annualreviews.org
▪ Abstract This paper reviews recent developments in the field of nonlinear chemical kinetics.
Five topics are dealt with:(a) new approaches to complex reaction mechanisms …

Structure and free energy of complex thermodynamic systems

Z Li, HA Scheraga - Journal of Molecular Structure: THEOCHEM, 1988 - Elsevier
Biological systems are intrinsically complex, involving many degrees of freedom,
heterogeneity, and strong interactions among components. For the simplest of biological …

Cationic redistribution induced spin-glass and cluster-glass states in spinel ferrite

S Nayak, S Ghorai, AM Padhan, S Hajra, P Svedlindh… - Physical Review B, 2022 - APS
The effect of the cationic redistribution on the complex spinel structure and magnetic
properties were investigated in Zn 0.7 Cu 0.3 Fe 2 O 4 ferrite. X-ray photoelectron …