Parallel helix bundles and ion channels: molecular modeling via simulated annealing and restrained molecular dynamics

<scp>CHARMM</scp>: A program for macromolecular energy, minimization, and dynamics calculations

1983 • 14,615 citations

MOLSCRIPT: a program to produce both detailed and schematic plots of protein structures

1991 • 14,222 citations

Ionic channels of excitable membranes

1985 • 7,199 citations

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

1984 • 4,553 citations

Predicting Coiled Coils from Protein Sequences

1991 • 3,977 citations

X-PLOR Version 3.1: A System for X-ray Crystallography and NMR

1992 • 3,488 citations

Ionic Channels of Excitable Membranes

1985 • 3,014 citations

Hydrogen bonding in globular proteins

1984 • 1,760 citations

A Switch Between Two-, Three-, and Four-stranded Coiled Coils in GCN4 Leucine Zipper Mutants

1993 • 1,456 citations

X-Ray Structure of the GCN4 Leucine Zipper, a Two-Stranded, Parallel Coiled Coil

1991 • 1,433 citations

Calculation of conformational ensembles from potentials of mena force

1990 • 1,091 citations

Nicotinic Acetylcholine Receptor an 9 Å Resolution

1993 • 822 citations

α‐Helical coiled coils and bundles: How to design an α‐helical protein

1990 • 720 citations

PRINCIPLES THAT DETERMINE THE STRUCTURE OF PROTEINS

1984 • 645 citations

The pore dimensions of gramicidin A

1993 • 619 citations

Synthetic Amphiphilic Peptide Models for Protein Ion Channels

1988 • 593 citations

Helix to helix packing in proteins

1981 • 556 citations

Mutations in the channel domain alter desensitization of a neuronal nicotinic receptor

1991 • 515 citations

Protein Design, a Minimalist Approach

1989 • 465 citations

The biophysics of peptide models of ion channels

1991 • 446 citations

Analysis of the relationship between side-chain conformation and secondary structure in globular proteins

1987 • 422 citations

Evidence That the M2 Membrane-Spanning Region Lines the Ion Channel Pore of the Nicotinic Receptor

1988 • 379 citations

The structure of ion channels in membranes of excitable cells

1989 • 368 citations

The ion channel of the nicotinic acetylcholine receptor is formed by the homologous helices M II of the receptor subunits

1986 • 313 citations

A dimerization motif for transmembrane α–helices

1994 • 313 citations

Crystal Structure of a Synthetic Triple-Stranded α-Helical Bundle

1993 • 281 citations

An open-channel blocker interacts with adjacent turns of α-helices in the nicotinic acetylcholine receptor

1990 • 275 citations

Nicotinic acetylcholine receptor and superfamily of ligand-gated ion channels

1990 • 260 citations

Intrahelical hydrogen bonding of serine, threonine and cysteine residues within α-helices and its relevance to membrane-bound proteins

1984 • 242 citations

Structure of the high-affinity binding site for noncompetitive blockers of the acetylcholine receptor: [3H]chlorpromazine labels homologous residues in the .beta. and .delta. chains

1987 • 228 citations

Synthetic peptides as models for ion channel proteins

1993 • 211 citations

Alamethicin and related peptaibols ? model ion channels

1993 • 199 citations

The functional architecture of the acetylcholine nicotinic receptor explored by affinity labelling and site-directed mutagenesis

1992 • 178 citations

The glycophorin A transmembrane domain dimer: Sequence-specific propensity for a right-handed supercoil of helixes

1992 • 172 citations

Structure and function of channel-forming peptaibols

1993 • 161 citations

α-Helical Coiled Coils: More Facts and Better Predictions

1994 • 153 citations

A measure of helical propensity for amino acids in membrane environments

1994 • 151 citations

Location of a threonine residue in the α -subunit M2 transmembrane segment that determines the ion flow through the acetylcholine receptor channel

1991 • 148 citations

Principles of protein structure

1980 • 145 citations

The Permeation Pathway of Neurotransmitter-Gated Ion Channels

1992 • 142 citations

M2 delta, a candidate for the structure lining the ionic channel of the nicotinic cholinergic receptor.

1988 • 130 citations

Properties of ion channels formed by Staphylococcus aureus δ-toxin

1988 • 105 citations

Molecular anatomy and molecular design of channel proteins

1990 • 104 citations

Automated modeling of coiled coils: application to the GCN4 dimerization region

1991 • 98 citations

Structure, function and application of the coiled-coil protein folding motif

1993 • 94 citations

Influenza virus M₂ protein: a molecular modelling study of the ion channel

1993 • 87 citations

Bundles of amphipathic transmembrane α‐helices as a structural motif for ion‐conducting channel proteins: Studies on sodium channels and acetylcholine receptors

1990 • 81 citations

Simulated annealing approach to the study of protein structures

1991 • 81 citations

Stratification of the channel domain in neurotransmitter receptors

1993 • 80 citations

Glycine and β‐branched residues support and modulate peptide helicity in membrane environments

1992 • 77 citations

Successful prediction of the coiled coil geometry of the GCN4 leucine zipper domain by simulated annealing: Comparison to the X‐ray structure

1993 • 71 citations

A helical-dipole model describes the single-channel current rectification of an uncharged peptide ion channel.

1994 • 66 citations

Design, synthesis and functional characterization of a pentameric channel protein that mimics the presumed pore structure of the nicotinic cholinergic receptor

1993 • 63 citations

Amino acid composition of the membrane and aqueous domains of integral membrane proteins

1986 • 61 citations

Packing of Secondary Structural Elements in Proteins

1993 • 61 citations

Pitch diversity in α‐helical coiled coils

1993 • 59 citations

Modeling of the structure of bacteriorhodopsin

1992 • 43 citations

Alpha-helical hydrophobic polypeptides form proton-selective channels in lipid bilayers

1994 • 43 citations

What is the pitch of the α‐helical coiled coil?

1992 • 38 citations

Models of δ‐hemolysin membrane channels and crystal structures

1990 • 35 citations

Structure and function of channels and channelogs as studied by computational chemistry

1991 • 32 citations

Theoretical study of the packing of α-helices by energy minimization: effect of the length of the helices on the packing energy and on the optimal configuration of a pair

1986 • 32 citations

Theoretical study of the packing of α-helices into possible transmembrane bundles. Sequences including alanines, leucines and serines

1987 • 24 citations

Molecular dynamics study of structure and stability of a model coiled coil

1993 • 22 citations

Principles that Determine the Structure of Proteins

1984 • 20 citations

Kinked structures of isolated nicotinic receptor M2 helices: A molecular dynamics study

1994 • 18 citations

The roles of serine and threonine sidechains in ion channels: a modelling study

1992 • 17 citations

Hydrophilic surface maps of channel-forming peptides: analysis of amphipathic helices

1993 • 16 citations

Rational design of a three‐heptad coiled‐coil protein and comparison by molecular dynamics simulation with the GCN4 coiled coil: Presence of interior three‐center hydrogen bonds

1994 • 12 citations

Alamethicin Channels Modelled by Simulated Annealing and Molecular Dynamics

1994 • 9 citations

Peering down a pore

1993 • 8 citations

The Permeation Pathway of Neurotransmitter-Gated Ion Channels

1992 • 5 citations

Simplified Models of the Pore Domain of the Nicotinic Acetylcholine Receptor

1994 • 3 citations