The role of the α-helix dipole in protein function and structure

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

1983 • 14,615 citations

The Nature of the Chemical Bond

1939 • 13,296 citations

The protein data bank: A computer-based archival file for macromolecular structures

1977 • 8,627 citations

Some Factors in the Interpretation of Protein Denaturation

1959 • 4,817 citations

Theoretical studies of enzymic reactions: Dielectric, electrostatic and steric stabilization of the carbonium ion in the reaction of lysozyme

1976 • 4,264 citations

The Anatomy and Taxonomy of Protein Structure

1981 • 3,376 citations

Enzyme structure and mechanism

1977 • 2,935 citations

AREAS, VOLUMES, PACKING, AND PROTEIN STRUCTURE

1977 • 2,631 citations

Conformational parameters for amino acids in helical, β-sheet, and random coil regions calculated from proteins

1974 • 2,173 citations

Stability of Proteins Small Globular Proteins

1979 • 2,139 citations

Biophysical chemistry

1979 • 1,709 citations

Protein denaturation. C. Theoretical models for the mechanism of denaturation.

1970 • 1,550 citations

Energy parameters in polypeptides. VII. Geometric parameters, partial atomic charges, nonbonded interactions, hydrogen bond interactions, and intrinsic torsional potentials for the naturally occurring amino acids

1975 • 1,532 citations

Structural patterns in globular proteins

1976 • 1,286 citations

Serine Proteases: Structure and Mechanism of Catalysis

1977 • 1,238 citations

Principles of protein structure

1980 • 1,094 citations

Principles of Protein Structure

1979 • 1,090 citations

The α-helix dipole and the properties of proteins

1978 • 985 citations

Calculation of the electric potential in the active site cleft due to α-helix dipoles

1982 • 931 citations

Theory of Protein Titration Curves. I. General Equations for Impenetrable Spheres

1957 • 798 citations

Electrostatic Effects in Proteins

1978 • 734 citations

A voltage-gated ion channel model inferred from the crystal structure of alamethicin at 1.5-Å resolution

1982 • 710 citations

The Refined Structure of the Selenoenzyme Glutathione Peroxidase at 0.2‐nm Resolution

1983 • 676 citations

Tomato bushy stunt virus at 2.9 Å resolution

1978 • 668 citations

Structure of catabolite gene activator protein at 2.9 Å resolution suggests binding to left-handed B-DNA

1981 • 651 citations

Structure and refinement of oxymyoglobin at 1·6 Å resolution

1980 • 641 citations

Structure of chicken muscle triose phosphate isomerase determined crystallographically at 2.5Å resolution: using amino acid sequence data

1975 • 638 citations

2 Evolutionary and Structural Relationships among Dehydrogenases

1975 • 607 citations

Molecular Mechanisms of Oxygen Activation

1975 • 588 citations

Enzyme Structure and Mechanism

1978 • 573 citations

Helix to helix packing in proteins

1981 • 556 citations

Structure of the cro repressor from bacteriophage λ and its interaction with DNA

1981 • 545 citations

Structure of Subtilisin BPN′ at 2.5 Å Resolution

1969 • 543 citations

β-Sheet topology and the relatedness of proteins

1977 • 541 citations

The operator-binding domain of λ repressor: structure and DNA recognition

1982 • 528 citations

Consistent force field studies of intermolecular forces in hydrogen-bonded crystals. 1. Carboxylic acids, amides, and the C:O.cntdot..cntdot..cntdot.H- hydrogen bonds

1979 • 504 citations

Action Potentials induced in Biomolecular Lipid Membranes

1968 • 497 citations

Crystallographic refinement and atomic models of two different forms of citrate synthase at 2·7 and 1·7 Å resolution

1982 • 495 citations

The structure of melittin. II. Interpretation of the structure.

1982 • 493 citations

Conformation of twisted β-pleated sheets in proteins

1973 • 487 citations

Identification of the catalytic site of rat liver glutathione peroxidase as selenocysteine

1978 • 474 citations

Three-dimensional crystals of a membrane protein complex

1982 • 454 citations

Crystal structure of cat muscle pyruvate kinase at a resolution of 2.6 Å

1979 • 444 citations

Homology among DNA-binding proteins suggests use of a conserved super-secondary structure

1982 • 432 citations

Protein disk of tobacco mosaic virus at 2.8 Å resolution showing the interactions within and between subunits

1978 • 406 citations

Solvation. A molecular dynamics study of a dipeptide in water

1979 • 406 citations

Flavins and Flavoproteins

2021 • 391 citations

Predicted nucleotide-binding properties of p21 protein and its cancer-associated variant

1983 • 390 citations

Subtilisin. Stereochemical mechanism involving transition-state stabilization

1972 • 376 citations

Structure of a triclinic ternary complex of horse liver alcohol dehydrogenase at 2.9 Å resolution

1981 • 373 citations

Structure of southern bean mosaic virus at 2.8 Å resolution

1980 • 371 citations

Sequence and structure of yeast phosphoglycerate kinase.

1982 • 364 citations

Differential reactivity of the functional sulfhydryl groups of cysteine-32 and cysteine-35 present in the reduced form of thioredoxin from Escherichia coli.

1980 • 364 citations

Binding of chloromethyl ketone substrate analogs to crystalline papain

1976 • 352 citations

Conformational energy estimates for statistically coiling polypeptide chains

1967 • 349 citations

Calculations of chemical processes in solutions

1979 • 336 citations

Flavin-oxygen derivatives involved in hydroxylation by p-hydroxybenzoate hydroxylase.

1976 • 330 citations

Studies of asymmetry in the three-dimensional structure of lobster D-glyceraldehyde-3-phosphate dehydrogenase.

1975 • 330 citations

The catalytic mechanism of glutathione reductase as derived from x-ray diffraction analyses of reaction intermediates.

1983 • 323 citations

Sequence and structure of D-glyceraldehyde 3-phosphate dehydrogenase from Bacillus stearothermophilus

1977 • 307 citations

Cooperative effects in simulated water

1979 • 306 citations

Substrate positions and induced-fit in crystalline adenylate kinase

1977 • 304 citations

The molecular basis of DNA–protein recognition inferred from the structure of cro repressor

1982 • 303 citations

The covalent and tertiary structure of bovine liver rhodanese

1978 • 292 citations

Structure of actinidin, after refinement at 1.7 Å resolution

1980 • 287 citations

The structure of the flavoenzyme glutathione reductase

1978 • 279 citations

Dipoles of the α-helix and β-sheet: their role in protein folding

1981 • 275 citations

Specific protein-nucleic acid recognition in ribonuclease T1–2′-guanylic acid complex: an X-ray study

1982 • 272 citations

Studies of asymmetry in the three-dimensional structure of lobster D-glyceraldehyde-3-phosphate dehydrogenase

1975 • 267 citations

Microwave spectrum and structure of hydrogen bonded water dimer

1974 • 263 citations

Conformational polymorphism. The influence of crystal structure on molecular conformation

1978 • 254 citations

Structure of RNA and RNA binding site in tobacco mosaic virus from 4-Å map calculated from X-ray fibre diagrams

1977 • 243 citations

The Structure of Papain

1971 • 242 citations

Image approximation to the reaction field

1975 • 236 citations

Water and proteins. II. The location and dynamics of water in protein systems and its relation to their stability and properties

1983 • 236 citations

Crystal structures of Escherichia coli and Lactobacillus casei dihydrofolate reductase refined at 1.7 A resolution. II. Environment of bound NADPH and implications for catalysis.

1982 • 234 citations

Structure of porcine pancreatic phospholipase A2 at 2·6resolution and comparison with bovine phospholipase A2

1983 • 233 citations

Deoxyribonucleic acid sequence of a gene from the Pseudomonas transposon TN501 encoding mercuric reductase

1983 • 232 citations

Structure of catabolite gene activator protein at 2.9-A resolution. Incorporation of amino acid sequence and interactions with cyclic AMP.

1982 • 229 citations

Crystal and molecular structures of native and CTP-liganded aspartate carbamoyltransferase from Escherichia coli

1982 • 227 citations

Experimental evaluation of the effective dielectric constant of proteins

1980 • 223 citations

Molecular structure of a new family of ribonucleases

1982 • 222 citations

Structure of the semiquinone form of flavodoxin from Clostridium MP

1977 • 221 citations

Crystal structure of avian dihydrofolate reductase containing phenyltriazine and NADPH.

1982 • 219 citations

X-ray crystallographic study of boronic acid adducts with subtilisin BPN' (Novo). A model for the catalytic transition state.

1975 • 218 citations

Nucleotide sequence of the lipoamide dehydrogenase gene of Escherichia coli K12

1983 • 218 citations

On the three-dimensional structure and catalytic mechanism of triose phosphate isomerase

1981 • 216 citations

Electrostatic effects in myoglobin. Hydrogen ion equilibriums in sperm whale ferrimyoglobin

1974 • 211 citations

Structure of the active ternary complex of pig heart lactate dehydrogenase with S-lac-NAD at 2.7 Å resolution

1981 • 209 citations

The unit conductance channel of alamethicin

1972 • 209 citations

Comparison of the three-dimensional protein and nucleotide structure of the FAD-binding domain of p-hydroxybenzoate hydroxylase with the FAD- as well as NADPH-binding domains of glutathione reductase

1983 • 197 citations

Relation between structure and function of α/β–protejns

1980 • 194 citations

Crystal structure of p-hydroxybenzoate hydroxylase

1979 • 188 citations

Polypeptide conformation of cytoplasmic malate dehydrogenase from an electron density map at 3.0 Å resolution

1972 • 184 citations

Stereochemical Criteria for Polypeptide and Protein Chain Conformations

1966 • 183 citations

Structure and control of phosphofructokinase from Bacillus stearothermophilus

1979 • 172 citations

Energy Parameters in Polypeptides. I. Charge Distributions and the Hydrogen Bond^*

1967 • 164 citations

Alamethicin pore formation: Voltage-dependent flip-flop of ?-helix dipoles

1983 • 161 citations

Structure of β-sheets

1982 • 155 citations

Structure of Satellite tobacco necrosis virus at 3.0 Å resolution

1982 • 154 citations

Melittin and a chemically modified trichotoxin form alamethicin-type multi-state pores

1983 • 154 citations

Magnetic field induced orientation of photosynthetic systems

1972 • 150 citations

Tyrosyl-tRNA synthetase forms a mononucleotide-binding fold

1982 • 149 citations

Three-dimensional structure of a photosynthetic membrane

1982 • 148 citations

The Chemical and Electronic Structure of the Neutral Flavin Radical as Revealed by Electron Spin Resonance Spectroscopy of Chemically and Isotopically Substituted Derivatives

1970 • 144 citations

Nature of the charge distribution in proteins

1981 • 140 citations

Molecular dynamics of ferrocytochrome c

1981 • 139 citations

FAD-binding site of glutathione reductase

1982 • 138 citations

Mercuric reductase: homology to glutathione reductase and lipoamide dehydrogenase. Iodoacetamide alkylation and sequence of the active site peptide

1983 • 133 citations

The lowest conductance state of the alamethicin pore

1980 • 123 citations

The structure of cytidilyl(2′,5′)adenosine when bound to pancreatic ribonuclease S

1977 • 122 citations

Solvent effects and polar interactions in the structural stability and dynamics of globular proteins

1980 • 120 citations

Molecular orbital studies of hydrogen bonds. IX. Electron distribution analysis

1975 • 119 citations

Packing of α-Helices onto β-Pleated sheets and the anatomy of proteins

1980 • 112 citations

Mechanisms of protein and polypeptide helix initiation

1975 • 107 citations

Subtilisin Novo. The Three-Dimensional Structure and Its Comparison with Subtilisin BPN'

1972 • 104 citations

Rhodanese‐Mediated Sulfur Transfer to Succinate Dehydrogenase

1977 • 101 citations

Structure of oxidized flavodoxin from Anacystis nidulans

1983 • 94 citations

Role of interchain interactions in the stabilization of the right-handed twist of β-sheets

1983 • 91 citations

Penicillin Target Enzyme and the Antibiotic Binding Site

1982 • 81 citations

Structure of 2-keto-3-deoxy-6-phosphogluconate aldolase at 2.8 Å resolution

1982 • 81 citations

Folding of polypeptide chains induced by the amino acid side-chains

1974 • 80 citations

Primary photochemical reactions in chloroplast photosynthesis

1974 • 74 citations

Refined models for computer simulation of protein folding

1979 • 73 citations

Photosynthetic membranes

1978 • 73 citations

The structure of bovine liver rhodanese

1979 • 71 citations

p‐Hydroxybenzoate Hydroxylase from Pseudomonas fluorescens

1983 • 70 citations

Influence of pH on the interaction of inhibitors with triosephosphate isomerase and determination of the pKa of the active-site carboxyl group

1975 • 70 citations

Crystallographic studies and model building of ATP at the active site of hexokinase

1980 • 67 citations

Interactions of phosphate ligands with Escherichia coli aspartate carbamoyltransferase in the crystalline state

1982 • 66 citations

4 Flavin and Pteridine Monooxygenases

1975 • 65 citations

An Expanded Mechanism for Rhodanese Catalysis

1974 • 65 citations

Spatial electron distribution and population analysis of amides, carboxylic acid, and peptides, and their relation to empirical potential functions

1976 • 65 citations

Active‐site α‐helix in papain and the stability of the ion pair RS⁻ ··· ImH⁺_.Ab initio molecular orbital study

1980 • 63 citations

Magnetic field effect on the chlorophyll fluorescence in Chlorella

1971 • 62 citations

The Conformation of Poly-L-tyrosine in Quinoline from Dielectric Dispersion Studies

1966 • 62 citations

Structural and dipolar properties of the voltage-dependent pore former alamethicin in octanol/dioxane

1982 • 60 citations

Interaction of rhodanese with mitochondrial NADH dehydrogenase

1983 • 59 citations

The state of chlorophyll and carotenoid in vivo II — A linear dichroism study of pigment orientation in photosynthetic bacteria

1974 • 57 citations

Empirical Studies of Hydrophobicity. 2. Distribution of the Hydrophobic, Hydrophilic, Neutral, and Ambivalent Amino Acids in the Interior and Exterior Layers of Native Proteins

1980 • 57 citations

Proposals for the catalytic mechanism of glycogen phosphorylase b prompted by crystallographic studies on glucose 1-phosphate binding

1980 • 56 citations

The electrostatic potential of the alpha helix (electrostatic potential/α-helix/secondary structure/helix dipole)

1980 • 56 citations

Molecular Structure of Taka-Amylase A

1980 • 54 citations

Molecular interactions and activity in proteins

1978 • 51 citations

On the Structure of the Helical N‐Terminus in Alamethicin—α‐Helix or 3₁₀‐Helix?

1981 • 50 citations

Cooperative effects in ?-helices: Anab initio molecular-orbital study

1982 • 49 citations

Comparison of AMP and NADH binding to glycogen phosphorylase b

1983 • 49 citations

Structure at 2.3 Å resolution of the gene 5 product of bacteriophage fd: A DNA unwinding protein

1979 • 48 citations

Theory of the dielectric constant of ice

1981 • 47 citations

Specific alterations of the EF-Tu polypeptide chain considered in the light of its three-dimensional structure.

1984 • 44 citations

Conformational and geometrical properties of β-sheets in proteins

1981 • 41 citations

Studies of the conductance changes induced in bimolecular lipid membranes by alamethicin

1972 • 41 citations

Triose phosphate isomerase, pyruvate kinase and other α/β-barrel enzymes

1983 • 40 citations

Phosphorylase: control and activity

1981 • 40 citations

An Analysis of the Three-Dimensional Structure of Chicken Triose Phosphate Isomerase

1977 • 39 citations

Conformational polymorphism. 2. Crystal energetics by computational substitution. Further evidence for the sensitivity of the method

1978 • 38 citations

Dipole moment of alamethicin as related to voltage-dependent conductance in lipid bilayers

1982 • 38 citations

Transmission of substituent effects. Generalization of the ellipsoidal cavity field effect model

1976 • 37 citations

Energy minimizations of rubredoxin

1980 • 34 citations

Crystal structure of a microbial ribonuclease, RNase St

1982 • 33 citations

Structure of glycolate oxidase from spinach at a resolution of 5.5 Å

1980 • 33 citations

Comparison of the folding of 2-Keto-3-deoxy-6-phosphogluconate aldolase, triosephosphate isomerase and pyruvate kinase

1982 • 33 citations

Glyceraldehyde-3-phosphate dehydrogenase

1981 • 30 citations

Geometrical Criteria for Formation of Coiled-Coil Structures of Polypeptide Chains

1976 • 29 citations

An interactive graphics system for comparing the model building of macromolecules

1981 • 28 citations

Insertion of sulfide into ferredoxins catalyzed by rhodanese

1977 • 28 citations

Crystal structure of Boc‐Ala‐Aib‐Ala‐Aib‐Aib‐methyl ester, a pentapeptide fragment of the channel‐forming ionophore suzukacillin

1983 • 27 citations

Ab initio molecular orbital studies on the active site of papain

1976 • 25 citations

A relation between the strengths of the orientation polarization and the infrared absorption of the OH stretching vibrations of ice

1978 • 25 citations

Direct observation of the rotation in a constant magnetic field of highly organized lamellar structures

1975 • 23 citations

The crystal structure of the amino-terminal pentapeptide of suzukacillin. Occurrence of a four-fold peptide helix

1982 • 22 citations

The α-helix as an ion channel. An ab initio molecular orbital study

1981 • 20 citations

Conformational polymorphism. 4. Crystal energetics of a trimorphic system including disorder

1982 • 18 citations

Polypeptide chains with similar amino acid sequences but a distinctly different conformation

1983 • 17 citations

Hairpin bend and interhelical interactions in α-helical poly(l-alanine) in water

1972 • 17 citations

Eukaryotic initiation factor 4B of wheat germ binds to the translation initiation region of a messenger ribonucleic acid

1984 • 15 citations

Dipole–dipole interaction and the relative stability of different types of aggregates of helical polypeptides

1978 • 15 citations

Stabilization of Regular Conformational Regions in Proteins by Intraregion Electrostatic Interactions

1980 • 11 citations

Co-operative and quadrupole effects in order–disorder transitions in crystalline ices

1980 • 11 citations