Unfolding of an α‐helix in water

The OPLS [optimized potentials for liquid simulations] potential functions for proteins, energy minimizations for crystals of cyclic peptides and crambin

1988 • 4,676 citations

A new force field for molecular mechanical simulation of nucleic acids and proteins

1984 • 4,553 citations

A Thermodynamic Scale for the Helix-Forming Tendencies of the Commonly Occurring Amino Acids

1990 • 1,173 citations

Free Energy Via Molecular Simulation: Applications to Chemical and Biomolecular Systems

1989 • 1,052 citations

Structural characteristics of .alpha.-helical peptide molecules containing Aib residues

1990 • 960 citations

Unusually stable helix formation in short alanine-based peptides.

1989 • 752 citations

Protein-folding dynamics

1976 • 626 citations

Defining Solution Conformations of Small Linear Peptides

1991 • 528 citations

X-ray structure and refinement of carbon-monoxy (Fe II)-myoglobin at 1.5 Å resolution

1986 • 511 citations

Revised TIPS for simulations of liquid water and aqueous solutions

1982 • 494 citations

Conformation of peptide fragments of proteins in aqueous solution: implications for initiation of protein folding

1988 • 463 citations

Relative helix-forming tendencies of nonpolar amino acids

1990 • 455 citations

Side Chain Contributions to the Stability of Alpha-Helical Structure in Peptides

1990 • 455 citations

Folding of immunogenic peptide fragments of proteins in water solution

1988 • 437 citations

Reaction path study of conformational transitions in flexible systems: Applications to peptides

1990 • 252 citations

Molecular dynamics simulations of the unfolding of an .alpha.-helical analog of ribonuclease A S-peptide in water

1991 • 217 citations

Water-Inserted α-Helical Segments Implicate Reverse Turns as Folding Intermediates

1989 • 210 citations

Diffusion–collision model for protein folding

1979 • 183 citations

Monte Carlo determination of the free energy and internal energy of hydration for the Ala dipeptide at 25.degree.C

1985 • 182 citations

Microfolding: Conformational probability map for the alanine dipeptide in water from molecular dynamics simulations

1988 • 163 citations

Thermodynamics and mechanism of .alpha. helix initiation in alanine and valine peptides

1991 • 154 citations

Proton NMR studies of the solution conformations of an analog of the C-peptide of ribonuclease A

1989 • 154 citations

The potential of mean force surface for the alanine dipeptide in aqueous solution: a theoretical approach

1985 • 150 citations

The Physical Basis for Induction of Protein-Reactive Antipeptide Antibodies

1988 • 130 citations

Side‐chain interactions in the C‐peptide helix: Phe 8 ⃛ His 12⁺

1990 • 106 citations

Nanosecond timescale folding dynamics of a pentapeptide in water

1991 • 95 citations

Reverse turns in blocked dipeptides are intrinsically unstable in water

1990 • 78 citations

Calculation of free energy surfaces using the methods of thermodynamic perturbation theory

1987 • 75 citations

Conformational free energy of hydration for the alanine dipeptide: thermodynamic analysis

1988 • 68 citations

Apolar peptide models for conformational heterogeneity, hydration, and packing of polypeptide helices: Crystal structure of hepta‐ and octapeptides containing α‐aminoisobutyric acid

1990 • 64 citations

Reaction path study of conformational transitions and helix formation in a tetrapeptide.

1989 • 63 citations

Configuration entropy of the alanine dipeptide in vacuum and in solution: a molecular dynamics study

1985 • 60 citations

Identification of secondary structures in globular proteins ‐ a new algorithm*

1982 • 51 citations

Conformation of a T cell stimulating peptide in aqueous solution

1989 • 50 citations

Theoretical evidence for destabilization of an .alpha.-helix by water insertion: molecular dynamics of hydrated decaalanine

1990 • 44 citations

Frontiers of NMR in molecular biology

1989 • 39 citations

Conformations of the glycine dipeptide

1987 • 28 citations

Short alpha-helix stability

1990 • 14 citations

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