Factors Governing the Protonation State of Cysteines in Proteins: An Ab Initio/CDM Study

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

1983 • 14,615 citations

A human retinoic acid receptor which belongs to the family of nuclear receptors

1987 • 2,245 citations

Zinc coordination, function, and structure of zinc enzymes and other proteins

1990 • 1,731 citations

Handbook of Chemistry and Physics

1961 • 1,598 citations

Coordinating properties of the amide bond. Stability and structure of metal ion complexes of peptides and related ligands

1982 • 1,548 citations

Ionic radii in aqueous solutions

1988 • 1,534 citations

Recent Advances in Zinc Enzymology

1996 • 1,336 citations

Vibrational frequency prediction using density functional theory

1996 • 1,138 citations

Group contributions to the thermodynamic properties of non-ionic organic solutes in dilute aqueous solution

1981 • 971 citations

ZINC PROTEINS: Enzymes, Storage Proteins, Transcription Factors, and Replication Proteins

1992 • 966 citations

Calculation of the total electrostatic energy of a macromolecular system: Solvation energies, binding energies, and conformational analysis

1988 • 829 citations

Statistical Mechanics

1975 • 754 citations

Peptides by Activation of Amino Acids with CO on (Ni,Fe)S Surfaces: Implications for the Origin of Life

1998 • 621 citations

Critical Stability Constants

1989 • 610 citations

Gas Phase Ion Chemistry

1979 • 568 citations

Circular Polarization in Star- Formation Regions: Implications for Biomolecular Homochirality

1998 • 556 citations

The dielectric constant of a folded protein

1986 • 452 citations

Coordination geometries of selected transition metal ions (Co2+, Ni2+, Cu2+, Zn2+, Cd2+, and Hg2+) in metalloproteins

1998 • 376 citations

Catalysis By Metal-Activated Hydroxide in Zinc and Manganese Metalloenzymes

1999 • 356 citations

Handbook of physical properties of organic chemicals

1997 • 299 citations

High-resolution structure of an HIV zinc fingerlike domain via a new NMR-based distance geometry approach

1990 • 268 citations

Data for biochemical research

1983 • 263 citations

A consensus zinc finger peptide: design, high-affinity metal binding, a pH-dependent structure, and a His to Cys sequence variant

1991 • 237 citations

LESSONS FROM ZINC-BINDING PEPTIDES

1997 • 223 citations

Summary of gas phase acidity measurements involving acids AH. Entropy changes in proton transfer reactions involving negative ions. Bond dissociation energies D(A—H) and electron affinities EA(A)

1978 • 223 citations

Dielectric relaxation spectra of water adsorbed on lysozyme

1972 • 221 citations

The Biological chemistry of magnesium

1995 • 220 citations

Tetrahedral vs Octahedral Zinc Complexes with Ligands of Biological Interest: A DFT/CDM Study

2000 • 217 citations

Interaction of the peptide bond with solvent water: a vapor phase analysis

1978 • 196 citations

[29] Protein data bank archives of three-dimensional macromolecular structures

1997 • 190 citations

Theoretical Studies of Metal Ion Selectivity. 1. DFT Calculations of Interaction Energies of Amino Acid Side Chains with Selected Transition Metal Ions (Co²⁺, Ni²⁺, Cu²⁺, Zn²⁺, Cd²⁺, and Hg²⁺)

2000 • 180 citations

Competitive Binding in Magnesium Coordination Chemistry: Water versus Ligands of Biological Interest

1999 • 156 citations

Biological coordination chemistry of magnesium, sodium, and potassium ions. Protein and nucleotide binding sites

1994 • 122 citations

A Comprehensive Energy Component Analysis of the Interaction of Hard and Soft Dications with Biological Ligands

1994 • 105 citations

Retention of Thiol Protons in Two Classes of Protein Zinc Ion Coordination Centers

1996 • 96 citations

H-Ras Peptide and Protein Substrates Bind Protein Farnesyltransferase as an Ionized Thiolate

1998 • 91 citations

Characterization of interactions and metal ion binding sites in proteins

1994 • 86 citations

Transport phenomena and asymmetry effects in membranes with asymmetric fixed charge distributions

1991 • 78 citations

Role of metal–ligand coordination in the folding pathway of zinc finger peptides

1998 • 73 citations

Thermodynamics of the Ionization of Some Thiols in Aqueous Solution.

1964 • 63 citations

Determination of the p K a of the four Zn 2+ -coordinating residues of the distal finger motif of the HIV-1 nucleocapsid protein: Consequences on the binding of Zn 2+ 1 1Edited by M. F. Summers

2001 • 59 citations

Metal Binding in Proteins: The Effect of the Dielectric Medium

2000 • 57 citations

Low-temperature crystal structure of superoxocobalamin obtained by solid-state oxygenation of the B12 derivative cob(II)alamin

1991 • 56 citations

Ab Initio Calculations of Proton Dissociation Energies of Zinc Ligands: Hypothesis of Imidazolate as Zinc Ligand in Proteins

1999 • 53 citations

Ab initio quantum chemical study of the cobalt d-d spectroscopy of several substituted zinc enzymes

1993 • 49 citations

The coordination chemistry of the structural zinc ion in alcohol dehydrogenase studied by ab initio quantum chemical calculations

1996 • 49 citations

Investigation of Zinc Chelation in Zinc-Finger Arrays by Electrospray Mass Spectrometry

1999 • 46 citations

The coordination chemistry of the catalytic zinc ion in alcohol dehydrogenase studied by ab initio quantum chemical calculations

1994 • 30 citations

A quantum-mechanical study of metal binding sites in zinc finger structures

1998 • 23 citations

Molecular Orbital Study of Complexes of Zinc(II) with Sulphide, Thiomethanolate, Thiomethanol, Dimethylthioether, Thiophenolate, Formiate, Acetate, Carbonate, Hydrogen Carbonate, Iminomethane and Imidazole. Relationships with Structural and Catalytic Zinc in Some Metallo-Enzymes

1999 • 22 citations

Bispheric Coordinative Structuring in a Zinc Finger Protein: NMR Analysis of a Point Mutant of the Carboxy-Terminal LIM Domain of Quail Cysteine- and Glycine-Rich Protein CRP2

1998 • 21 citations

Quantum Chemical Studies of Reactions of the Cyclic Disulfides with the Zinc Finger Domains in the HIV-1 Nucleocapsid Protein (NCp7)

2000 • 12 citations

Structure and relative acidity for a model zinc finger

1997 • 11 citations