Multivalency as a chemical organization and action principle

C Fasting, CA Schalley, M Weber… - Angewandte Chemie …, 2012 - Wiley Online Library
Multivalent interactions can be applied universally for a targeted strengthening of an
interaction between different interfaces or molecules. The binding partners form cooperative …

Dominant forces in protein folding

KA Dill - Biochemistry, 1990 - ACS Publications
Department of Pharmaceutical Chemistry, University of California, San Francisco, California
94143-1204 Received April 3, 1990; Revised Manuscript Received May 2, 1990 e purpose …

Funnels, pathways, and the energy landscape of protein folding: a synthesis

JD Bryngelson, JN Onuchic, ND Socci… - Proteins: Structure …, 1995 - Wiley Online Library
The understanding, and even the description of protein folding is impeded by the complexity
of the process. Much of this complexity can be described and understood by taking a …

Theory of protein folding: the energy landscape perspective

JN Onuchic, Z Luthey-Schulten… - Annual review of …, 1997 - annualreviews.org
▪ Abstract The energy landscape theory of protein folding is a statistical description of a
protein's potential surface. It assumes that folding occurs through organizing an ensemble of …

Protein folding funnels: a kinetic approach to the sequence-structure relationship.

PE Leopold, M Montal, JN Onuchic - … of the National Academy of Sciences, 1992 - pnas.org
A lattice model of protein folding is developed to distinguish between amino acid sequences
that do and do not fold into unique conformations. Although Monte Carlo simulations provide …

Residue–residue potentials with a favorable contact pair term and an unfavorable high packing density term, for simulation and threading

S Miyazawa, RL Jernigan - Journal of molecular biology, 1996 - Elsevier
Attractive inter-residue contact energies for proteins have been re-evaluated with the same
assumptions and approximations used originally by us in 1985, but with a significantly larger …

Deciphering the message in protein sequences: tolerance to amino acid substitutions

JU Bowie, JF Reidhaar-Olson, WA Lim, RT Sauer - Science, 1990 - science.org
An amino acid sequence encodes a message that determines the shape and function of a
protein. This message is highly degenerate in that many different sequences can code for …

Principles of protein folding—a perspective from simple exact models

KA Dill, S Bromberg, K Yue, HS Chan… - Protein …, 1995 - Wiley Online Library
General principles of protein structure, stability, and folding kinetics have recently been
explored in computer simulations of simple exact lattice models. These models represent …

[HTML][HTML] Determination of atomic desolvation energies from the structures of crystallized proteins

C Zhang, G Vasmatzis, JL Cornette, C DeLisi - Journal of molecular biology, 1997 - Elsevier
We estimated effective atomic contact energies (ACE), the desolvation free energies
required to transfer atoms from water to a protein's interior, using an adaptation of a method …

Biomolecular modeling: goals, problems, perspectives

WF Van Gunsteren, D Bakowies… - Angewandte Chemie …, 2006 - Wiley Online Library
Computation based on molecular models is playing an increasingly important role in
biology, biological chemistry, and biophysics. Since only a very limited number of properties …