Published in Proc Natl Acad Sci U S A on April 01, 1985
Protein states and proteinquakes. Proc Natl Acad Sci U S A (1985) 10.43
Molecular dynamics simulations of cooling in laser-excited heme proteins. Proc Natl Acad Sci U S A (1986) 2.54
Direct observations of ligand dynamics in hemoglobin by subpicosecond infrared spectroscopy. Proc Natl Acad Sci U S A (1989) 1.67
The role of cavities in protein dynamics: crystal structure of a photolytic intermediate of a mutant myoglobin. Proc Natl Acad Sci U S A (2000) 1.63
Unveiling functional protein motions with picosecond x-ray crystallography and molecular dynamics simulations. Proc Natl Acad Sci U S A (2004) 1.28
Molecular dynamics simulations of fluorescence polarization of tryptophans in myoglobin. Proc Natl Acad Sci U S A (1987) 1.27
Photoselection in polarized photolysis experiments on heme proteins. Biophys J (1993) 1.23
Nonexponential relaxation after ligand dissociation from myoglobin: a molecular dynamics simulation. Proc Natl Acad Sci U S A (1993) 1.01
Simulation of the kinetics of ligand binding to a protein by molecular dynamics: geminate rebinding of nitric oxide to myoglobin. Proc Natl Acad Sci U S A (1993) 0.98
Molecular dynamics simulations of hemoglobin A in different states and bound to DPG: effector-linked perturbation of tertiary conformations and HbA concerted dynamics. Biophys J (2007) 0.94
Picosecond transient absorption study of photodissociated carboxy hemoglobin and myoglobin. Biophys J (1988) 0.92
Molecular dynamics simulations of heme reorientational motions in myoglobin. Biophys J (1993) 0.92
Spontaneous quaternary and tertiary T-R transitions of human hemoglobin in molecular dynamics simulation. PLoS Comput Biol (2010) 0.86
Intramolecular heme ligation of the cytochrome P450 2C9 R108H mutant demonstrates pronounced conformational flexibility of the B-C loop region: implications for substrate binding. Biochemistry (2010) 0.84
Ligand dynamics in the photodissociation of carboxyhemoglobin by subpicosecond transient infrared spectroscopy. Biophys J (1990) 0.83
Picosecond study of the near infrared absorption band of hemoglobin after photolysis of carbonmonoxyhemoglobin. Biophys J (1991) 0.83
Photodissociation of CO and O2 from alpha and beta hemoglobin chains studied by using picosecond absorption spectroscopy. Biophys J (1987) 0.81
Multiphoton absorption of myoglobin-nitric oxide complex: relaxation by D-NEMD of a stationary state. J Phys Chem B (2012) 0.79
Observing heme doming in myoglobin with femtosecond X-ray absorption spectroscopy. Struct Dyn (2015) 0.78
Molecular dynamics simulation of a carboxy murine neuroglobin mutated on the proximal side: heme displacement and concomitant rearrangement in loop regions. J Mol Model (2009) 0.77
Subpicosecond resonance Raman spectroscopy of carbonmonoxy- and oxyhemoglobin. Biophys J (1990) 0.75
The internal dynamics of globular proteins. CRC Crit Rev Biochem (1981) 4.59
Dynamics of proteins: elements and function. Annu Rev Biochem (1983) 4.56
The crystal structure of human deoxyhaemoglobin at 1.74 A resolution. J Mol Biol (1984) 4.49
Haemoglobin: the structural changes related to ligand binding and its allosteric mechanism. J Mol Biol (1979) 3.79
Regulation of oxygen affinity of hemoglobin: influence of structure of the globin on the heme iron. Annu Rev Biochem (1979) 3.47
Three-dimensional fourier synthesis of human deoxyhaemoglobin at 2-5 A resolution: refinement of the atomic model. J Mol Biol (1975) 3.29
Femtosecond photolysis of CO-ligated protoheme and hemoproteins: appearance of deoxy species with a 350-fsec time constant. Proc Natl Acad Sci U S A (1983) 2.91
Nanosecond absorption spectroscopy of hemoglobin: elementary processes in kinetic cooperativity. Proc Natl Acad Sci U S A (1983) 2.30
Molecular dynamics of native protein. II. Analysis and nature of motion. J Mol Biol (1983) 2.29
Spectroscopic studies of oxy- and carbonmonoxyhemoglobin after pulsed optical excitation. Proc Natl Acad Sci U S A (1978) 2.15
Geminate recombination of O2 and hemoglobin. Proc Natl Acad Sci U S A (1980) 1.97
Stereochemistry of carbonylmetalloporphyrins. The structure of (pyridine)(carbonyl)(5, 10, 15, 20-tetraphenylprophinato)iron(II). J Am Chem Soc (1976) 1.94
The structure of human carbonmonoxy haemoglobin at 2.7 A resolution. J Mol Biol (1980) 1.77
Hemoglobin tertiary structural change on ligand binding. Its role in the co-operative mechanism. J Mol Biol (1983) 1.73
Resonance Raman investigation of carbon monoxide bonding in (carbon monoxy)hemoglobin and -myoglobin: detection of Fe-CO stretching and Fe-C-O bending vibrations and influence of the quaternary structure change. Biochemistry (1982) 1.59
Quaternary structures and low frequency molecular vibrations of haems of deoxy and oxyhaemoglobin studied by resonance raman scattering. J Mol Biol (1980) 1.57
Energy-structure correlation in metalloporphyrins and the control of oxygen binding by hemoglobin. Proc Natl Acad Sci U S A (1977) 1.40
Integrating the equations of motion. J Mol Biol (1983) 1.29
Picosecond resonance Raman spectroscopic evidence for excited-state spin conversion in carbonmonoxy-hemoglobin photolysis. Proc Natl Acad Sci U S A (1981) 1.29
An infrared study of bound carbon monoxide in the human red blood cell, isolated hemoglobin, and heme carbonyls. Biochemistry (1968) 1.15
Semiempirical calculations of model deoxyheme. Variation of calculated electromagnetic properties with electronic configuration and distance of iron from the plane. Biophys J (1978) 1.01
The ASTRAL compendium for protein structure and sequence analysis. Nucleic Acids Res (2000) 11.38
Theoretical studies of enzymic reactions: dielectric, electrostatic and steric stabilization of the carbonium ion in the reaction of lysozyme. J Mol Biol (1976) 9.91
p53: a frequent target for genetic abnormalities in lung cancer. Science (1989) 7.51
Folding dynamics and mechanism of beta-hairpin formation. Nature (1997) 7.30
A simplified representation of protein conformations for rapid simulation of protein folding. J Mol Biol (1976) 7.06
Structure of nucleosome core particles of chromatin. Nature (1977) 6.24
Structural patterns in globular proteins. Nature (1976) 5.95
Studies on the mechanism of action of nalidixic acid. Antimicrob Agents Chemother (1973) 5.64
Computer simulation of protein folding. Nature (1975) 5.34
Conformations of immunoglobulin hypervariable regions. Nature (1990) 5.31
Protein normal-mode dynamics: trypsin inhibitor, crambin, ribonuclease and lysozyme. J Mol Biol (1985) 4.56
The role of solvent viscosity in the dynamics of protein conformational changes. Science (1992) 4.52
A simple model for calculating the kinetics of protein folding from three-dimensional structures. Proc Natl Acad Sci U S A (1999) 4.51
Helix to helix packing in proteins. J Mol Biol (1981) 4.24
Conformational preferences of amino acids in globular proteins. Biochemistry (1978) 4.00
Fast kinetics and mechanisms in protein folding. Annu Rev Biophys Biomol Struct (2000) 3.90
Desire for death in the terminally ill. Am J Psychiatry (1995) 3.87
Energy functions that discriminate X-ray and near native folds from well-constructed decoys. J Mol Biol (1996) 3.86
Diffusion-limited contact formation in unfolded cytochrome c: estimating the maximum rate of protein folding. Proc Natl Acad Sci U S A (1996) 3.85
Detailed molecular model for transfer ribonucleic acid. Nature (1969) 3.81
Measuring the quality of life of cancer patients: the Functional Living Index-Cancer: development and validation. J Clin Oncol (1984) 3.76
Kinetics of sickle hemoglobin polymerization. II. A double nucleation mechanism. J Mol Biol (1985) 3.74
Measuring the rate of intramolecular contact formation in polypeptides. Proc Natl Acad Sci U S A (2000) 3.64
How many base-pairs per turn does DNA have in solution and in chromatin? Some theoretical calculations. Proc Natl Acad Sci U S A (1978) 3.55
Fast events in protein folding initiated by nanosecond laser photolysis. Proc Natl Acad Sci U S A (1993) 3.45
A statistical mechanical model for beta-hairpin kinetics. Proc Natl Acad Sci U S A (1998) 3.28
Kinetics and mechanism of deoxyhemoglobin S gelation: a new approach to understanding sickle cell disease. Proc Natl Acad Sci U S A (1974) 3.22
Refinement of protein conformations using a macromolecular energy minimization procedure. J Mol Biol (1969) 3.21
The PRESAGE database for structural genomics. Nucleic Acids Res (1999) 3.03
Laser temperature jump study of the helix<==>coil kinetics of an alanine peptide interpreted with a 'kinetic zipper' model. Biochemistry (1997) 2.83
Conformational relaxation and ligand binding in myoglobin. Biochemistry (1994) 2.71
Comprehensive assessment of automatic structural alignment against a manual standard, the scop classification of proteins. Protein Sci (1998) 2.60
Structure of proteins: packing of alpha-helices and pleated sheets. Proc Natl Acad Sci U S A (1977) 2.60
Molecular dynamics simulations of cooling in laser-excited heme proteins. Proc Natl Acad Sci U S A (1986) 2.54
Compactness of the denatured state of a fast-folding protein measured by submillisecond small-angle x-ray scattering. Proc Natl Acad Sci U S A (1999) 2.53
Structural similarity of DNA-binding domains of bacteriophage repressors and the globin core. Curr Biol (1993) 2.53
Polarized absorption and linear dichroism spectroscopy of hemoglobin. Methods Enzymol (1981) 2.51
Protein folding by restrained energy minimization and molecular dynamics. J Mol Biol (1983) 2.51
Kinetics of sickle hemoglobin polymerization. I. Studies using temperature-jump and laser photolysis techniques. J Mol Biol (1985) 2.49
Nanosecond absorption spectroscopy of hemoglobin: elementary processes in kinetic cooperativity. Proc Natl Acad Sci U S A (1983) 2.30
Molecular dynamics of native protein. II. Analysis and nature of motion. J Mol Biol (1983) 2.29
Submillisecond protein folding kinetics studied by ultrarapid mixing. Proc Natl Acad Sci U S A (1997) 2.29
Automatic identification of secondary structure in globular proteins. J Mol Biol (1977) 2.25
Energy refinement of hen egg-white lysozyme. J Mol Biol (1974) 2.24
A humanized antibody that binds to the interleukin 2 receptor. Proc Natl Acad Sci U S A (1989) 2.23
Supersaturation in sickle cell hemoglobin solutions. Proc Natl Acad Sci U S A (1976) 2.19
Kinetic studies on photolysis-induced gelation of sickle cell hemoglobin suggest a new mechanism. Biophys J (1980) 2.18
Stabilization of phage T4 lysozyme by engineered disulfide bonds. Proc Natl Acad Sci U S A (1989) 2.17
Spectroscopic studies of oxy- and carbonmonoxyhemoglobin after pulsed optical excitation. Proc Natl Acad Sci U S A (1978) 2.15
Decoys 'R' Us: a database of incorrect conformations to improve protein structure prediction. Protein Sci (2000) 2.10
Ab initio construction of protein tertiary structures using a hierarchical approach. J Mol Biol (2000) 2.05
Electronic spectrum of single crystals of ferricytochrome-c. J Chem Phys (1967) 2.00
Thermodynamics of gelation of sickle cell deoxyhemoglobin. J Mol Biol (1977) 1.97
A brighter future for protein structure prediction. Nat Struct Biol (1999) 1.93
Molecular dynamics simulations of helix denaturation. J Mol Biol (1992) 1.92
Is cooperative oxygen binding by hemoglobin really understood? Nat Struct Biol (1999) 1.92
The volume of atoms on the protein surface: calculated from simulation, using Voronoi polyhedra. J Mol Biol (1995) 1.92
Periodicity of deoxyribonuclease I digestion of chromatin. Science (1979) 1.90
Molecular dynamics of native protein. I. Computer simulation of trajectories. J Mol Biol (1983) 1.87
The complexity and accuracy of discrete state models of protein structure. J Mol Biol (1995) 1.86
Recognizing native folds by the arrangement of hydrophobic and polar residues. J Mol Biol (1995) 1.85
Factors affecting the ability of energy functions to discriminate correct from incorrect folds. J Mol Biol (1997) 1.84
Computer simulation of DNA double-helix dynamics. Cold Spring Harb Symp Quant Biol (1983) 1.81
Climate change and the integrity of science. Science (2010) 1.80
A lattice model for protein structure prediction at low resolution. Proc Natl Acad Sci U S A (1992) 1.80
Protein reaction kinetics in a room-temperature glass. Science (1995) 1.77
Geminate recombination of carbon monoxide to myoglobin. J Mol Biol (1983) 1.75
Structure of hemoglobin S fibers: optical determination of the molecular orientation in sickled erythrocytes. Proc Natl Acad Sci U S A (1973) 1.72
The predicted structure of immunoglobulin D1.3 and its comparison with the crystal structure. Science (1986) 1.68
Protein unfolding pathways explored through molecular dynamics simulations. J Mol Biol (1993) 1.67
Calorimetric and optical characterization of sickle cell hemoglobin gelation. J Mol Biol (1975) 1.67
Expectations from structural genomics. Protein Sci (2000) 1.65
Accurate prediction of the stability and activity effects of site-directed mutagenesis on a protein core. Nature (1991) 1.65
Exploring conformational space with a simple lattice model for protein structure. J Mol Biol (1994) 1.63
Delay time of hemoglobin S polymerization prevents most cells from sickling in vivo. Science (1987) 1.61
Gelation of sickle cell hemoglobin in mixtures with normal adult and fetal hemoglobins. J Mol Biol (1979) 1.58
Requirement for therapeutic inhibition of sickle haemoglobin gelation. Nature (1978) 1.58
Oxygen binding by sickle cell hemoglobin polymers. J Mol Biol (1982) 1.58
Crystals of haemoglobin with the T quaternary structure bind oxygen noncooperatively with no Bohr effect. Nature (1991) 1.56
A model of the molten globule state from molecular dynamics simulations. Proc Natl Acad Sci U S A (1992) 1.56
Quantification of the hydrophobic interaction by simulations of the aggregation of small hydrophobic solutes in water. Proc Natl Acad Sci U S A (2001) 1.55
A new class of tyrosine hydroxylase inhibitors and a simple assay of inhibition in vivo. Biochem Pharmacol (1967) 1.54
De novo protein design. II. Plasticity in sequence space. J Mol Biol (1999) 1.53
Photocycles of bacteriorhodopsin in light- and dark-adapted purple membrane studied by time-resolved absorption spectroscopy. Biophys J (1989) 1.49
Single-crystal spectra of ferrimyoglobin complexes in polarized light. J Chem Phys (1968) 1.47
Realistic simulations of native-protein dynamics in solution and beyond. Annu Rev Biophys Biomol Struct (1993) 1.46
A structural census of the current population of protein sequences. Proc Natl Acad Sci U S A (1997) 1.44
Discontinuation of antistreptococcal prophylaxis. A double-blind study in rheumatic patients free of heart disease. JAMA (1966) 1.42
Using iterative dynamic programming to obtain accurate pairwise and multiple alignments of protein structures. Proc Int Conf Intell Syst Mol Biol (1996) 1.41
A multiparameter analysis of sickle erythrocytes in patients undergoing hydroxyurea therapy. Blood (1996) 1.39
Making up inotrope solutions. Anaesthesia (1992) 1.39