Molecular orbital calculations on the conformation of nucleic acids and their constituents

Self-Consistent Molecular-Orbital Methods. I. Use of Gaussian Expansions of Slater-Type Atomic Orbitals

1969 • 4,043 citations

Conformation of Polypeptides and Proteins

1968 • 2,929 citations

Approximate Self-Consistent Molecular Orbital Theory. III. CNDO Results for AB2 and AB3 Systems

1966 • 1,906 citations

Approximate Self-Consistent Molecular Orbital Theory. II. Calculations with Complete Neglect of Differential Overlap

1965 • 1,074 citations

Stereochemistry of nucleic acids and their constituents. IV. Allowed and preferred conformations of nucleosides, nucleoside mono‐, di‐, tri‐, tetraphosphates, nucleic acids and polynucleotides

1969 • 605 citations

Molecular orbital theory of the electronic structure of organic compounds. VIII. Geometries, energies, and polarities of C3 hydrocarbons

1971 • 405 citations

Localized bond orbitals and the correlation problem

1969 • 400 citations

Calculations of Conformations of Polypeptides

1968 • 387 citations

Localized bond orbitals and the correlation problem

1969 • 370 citations

Base pairing in DNA

1960 • 340 citations

Molecular orbital theory of the electronic structure of organic compounds. VII. Systematic study of energies, conformations, and bond interactions

1971 • 312 citations

Nucleoside conformations: an analysis of steric barriers to rotation about the glycosidic bond

1967 • 261 citations

THE ISOLATION OF A NEW THYMINE PENTOSIDE FROM SPONGES¹

1950 • 255 citations

Molecular orbital theory of the electronic structure of organic compounds. IV. Internal rotation in hydrocarbons using a minimal Slater-type basis

1970 • 254 citations

Crystal and molecular structure of 8-bromoguanosine and 8-bromoadenosine, two purine nucleosides in the syn conformation

1970 • 203 citations

The Chemistry of the Vitamin B₁₂ Group.

1963 • 193 citations

Localized bond orbitals and the correlation problem

1969 • 180 citations

Crystal structure of a naturally occurring dinucleoside phosphate: Uridylyl 3′,5′-adenosine phosphate model for RNA chain folding

1972 • 172 citations

The crystal structure of guanosine dihydrate and inosine dihydrate

1970 • 163 citations

Molecular orbital theory of the electronic structure of organic compounds. III. Ab initio studies of charge distribution using a minimal Slater-type basis

1970 • 160 citations

The crystal structure of adenosine

1972 • 153 citations

The crystal and molecular structure of<scp>D</scp>(+)-barium uridine-5'-phosphate

1965 • 148 citations

Crystal and molecular structure of a naturally occurring dinucleoside monophosphate. Uridylyl-(3'-5')-adenosine hemihydrate. Conformational rigidity of the nucleotide unit and models for polynucleotide chain folding

1972 • 138 citations

The crystal and molecular structure of thymidine

1969 • 131 citations

Spatial configuration of polynucleotide chains. II. Conformational energies and the average dimensions of polyribonucleotides

1972 • 129 citations

Localized bond orbitals and the correlation problem

1969 • 127 citations

Stereochemistry of nucleic acids and polynucleotides. IV. Conformational energy of base-sugar units

1969 • 119 citations

A refinement of the crystal structure of cytidine

1965 • 118 citations

The crystal structure of deoxyadenosine monohydrate

1965 • 111 citations

The structural studies of formycin and formycin b

1966 • 111 citations

Stereochemistry of nucleic acid constituents. III. Crystal and molecular structure of adenosine 3'-phosphate dihydrate (adenylic acidb)

1966 • 109 citations

Crystal and Molecular Structure of Adenosine 3′,5′-Cyclic Phosphate

1968 • 105 citations

The crystal structure of a hydrogen bonded complex of deoxyguanosine and 5-bromodeoxycytidine

1965 • 104 citations

Stereochemistry of a substrate for pancreatic ribonuclease. Crystal and molecular structure of the triethylammonium salt of uridine 2', 3'-0,0-cyclophosphorothioate

1970 • 100 citations

Stereochemistry of nucleic acid constituents

1965 • 100 citations

Stereochemistry of nucleic acids and their constituents. XIII. Crystal and molecular structure of 3'-O-acetyladenosine. Conformational analysis of nucleosides and nucleotides with syn glycosidic torsional angle

1970 • 96 citations

Stereochemistry of nucleic acids and polynucleotides. II. Allowed conformations of the monomer unit for different ribose puckerings

1970 • 94 citations

A Pyrimidine nucleoside in the syn conformation: Molecular and crystal structure of 4-thiouridine-hydrate

1970 • 93 citations

Molecular orbital calculations on the conformation of polypeptides and proteins

1970 • 93 citations

The crystal structure of a hydrogen bonded complex of adenosine and 5-bromouridine

1965 • 90 citations

Molecular and crystal structure of the polynucleotide complex: Polyinosinic acid plus polydeoxycytidylic acid

1970 • 87 citations

Stereochemistry of nucleic acids and their constituents. XVII. Crystal and molecular structure of deoxycytidine 5'-phosphate monohydrate. Possible puckering for the furanoside ring in B-deoxyribonucleic acid

1971 • 84 citations

Stereochemistry of nucleic acids and their constituents. V. Crystal and molecular structure of a hydrated monosodium inosine 5'-phosphate. Commonly occurring unusual nucleotide in the anticodons of tRNA

1969 • 82 citations

The crystal structure of barium diethyl phosphate

1966 • 79 citations

The crystal and molecular structure of a dinucleoside phosphate: β-adenosine-2'-β-uridine-5'-phosphoric acid

1969 • 79 citations

Molecular orbital calculations on the preferred conformation of nucleosides

1968 • 78 citations

Molecular orbital calculations on the conformation of polypeptides and proteins IV. The conformation of the prolyl and hydroxyprolyl residues

1970 • 78 citations

Stereochemistry of nucleic acid constituents

1965 • 77 citations

Molecular orbital calculations on the conformation of nucleic acids and their constituents

1972 • 71 citations

The Conformation of Ribonucleosides in Solution. The Effect of Structure on the Orientation of the Base^*

1967 • 68 citations

Stereochemistry of nucleic acids and polynucleotides. V. Conformational energy of a ribose‐phosphale unit

1969 • 63 citations

Stereochemistry of nucleic acids and polynucleotides. VI. Minimum energy conformations of dimethyl phosphate

1969 • 63 citations

Molecular orbital calculations on the conformation of polypeptides and proteins

1970 • 61 citations

Molecular orbital calculations on the conformation of nucleic acids and their constituents. IV. Conformations about the exocyclic C(4′)-C(5′) bond

1972 • 60 citations

Molecular structures of amino acids and peptides. II. A redetermination of the crystal structure of L-O-serine phosphate. A very short phosphate–carboxyl hydrogen bond

1970 • 59 citations

Nucleoside conformation and non-bonded interactions

1971 • 58 citations

The crystal and molecular structure of the triethylammonium salt of cyclic uridine-3',5'-phosphate

1969 • 53 citations

Molecular orbital calculations on the conformation of nucleic acids and their constituents. I. Conformational energies of beta-nucleosides with C(3')-and C(2')-endo sugars.

1971 • 49 citations

The crystal and molecular structure of guanosine-5'-phosphate trihydrate

1969 • 47 citations

Carbon-13 and hydrogen-1 nuclear magnetic resonance study of the conformations of 3',5'- and 2',3'-cyclic nucleotides. Demonstration of the angular dependence of three-bond spin-spin couplings between carbon and phosphorus

1972 • 47 citations

Effects of halogen substituents on base stacking in nucleic acid components: The crystal structure of 8-Bromoguanosine

1969 • 44 citations

Molecular and crystal structure of an arabino nucleoside. X-ray analysis of 1-.beta.-D-arabinofuranosyl-4-thiouracil monohydrate

1972 • 41 citations

Quantum chemical studies on the conformational structure of nucleic acids III. Calculation of backbone structure by extended Hückel theory

1971 • 41 citations

Stereochemistry of nucleic acids and their constituents. XII. Crystal and molecular structure of .alpha.-D-2'-amino-2'-deoxyadenosine monohydrate

1970 • 41 citations

High frequency nuclear magnetic resonance investigation of the backbone of oxidized and reduced pyridine nucleotides

1970 • 40 citations

Stereochemistry of nucleic acids and their constituents. XI. Molecular structure and conformation of .alpha.-pseudouridine monohydrate, an unusual nucleoside with a glycosidic carbon-carbon bond

1970 • 38 citations

Nucleosides. XXXVIII. Proton Magnetic Resonance Studies of Acetylated Nucleosides

1967 • 38 citations

Nucleic acids and constituents. XXVII. Crystal structure of 5'-methylene adenosine 3',5'-cyclic monophosphonate monohydrate, biologically active analog of the secondary hormonal messenger cyclic adenosine 3',5'-monophosphate. Conformational rigidity furanose ring in cyclic nucleotides

1972 • 36 citations

The crystal structure of 5-methyluridine

1969 • 36 citations

Molecular structures of amino acids and peptides. I. The crystal structure and conformation of DL-O-serine phosphate monohydrate. Very short phosphate–phosphate hydrogen bonds

1970 • 35 citations

Crystal Structure of a Naturally Occurring Dinucleoside Monophosphate: Uridylyl (3′,5′) Adenosine Hemihydrate

1971 • 34 citations

The conformational energy map of an alanyl residue preceding proline: A quantum-mechanical approach

1970 • 27 citations

The crystal structure of silver diethyl phosphate, AgPO2(OC2H5)2

1972 • 26 citations

Quantum chemical studies on the conformational structure of nucleic acids I. Extended Hückel calculations on d-ribose phosphate

1971 • 24 citations

220 MHz proton nuclear magnetic resonance study of the geometric disposition of the base pairs in the oxidized and reduced pyridine nucleotides

1969 • 24 citations

Hydrogen bonding in derivatives of adenosine and uridine

1970 • 24 citations

Quantum chemical studies on the conformational structure of nucleic acids II. EHT and CNDO calculations on the puckering of D-ribose

1971 • 22 citations

Molecular Conformation of Adenosine 3′,5′-Monophosphonate Monohydrate

1972 • 21 citations

Cyclic Uridine-3′,5′-Phosphate: Molecular Structure

1968 • 20 citations

Molecular orbital calculations on the conformation of polypeptides and proteins

1970 • 18 citations

Cyclic Cytidine 2′,3′-Phosphate: Molecular Structure

1970 • 18 citations

Furanose ring conformation in nucleosides and nucleic acids

1969 • 15 citations

Crystal Structure of Propylguanidinium Diethyl Phosphate.

1972 • 13 citations

Conformation of 5-bromo-uracil-arabinofuranoside

1969 • 12 citations

Crystal Structure of Putrescinium Di-(diethyl Phosphate).

1972 • 12 citations

Crystal Structure of Uridine 2′,3′‐O,O‐Cyclophosphorothioate

1969 • 6 citations

Conformation of the Arabinonucleoside 1‐β‐<scp>D</scp>‐Arabinofuranosyl‐4‐thiouracil

1971 • 5 citations