The Internal Dynamics of Globular Protein

Brownian motion in a field of force and the diffusion model of chemical reactions

1940 • 8,230 citations

Theory of simple liquids

1976 • 8,042 citations

A treatise on the mathematical theory of elasticity

1892 • 7,577 citations

The interpretation of protein structures: Estimation of static accessibility

1971 • 5,771 citations

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

1976 • 4,264 citations

Stereochemistry of polypeptide chain configurations

1963 • 3,351 citations

Stereochemistry of Cooperative Effects in Haemoglobin: Haem–Haem Interaction and the Problem of Allostery

1970 • 2,874 citations

The structure of proteins: Two hydrogen-bonded helical configurations of the polypeptide chain

1951 • 2,750 citations

AREAS, VOLUMES, PACKING, AND PROTEIN STRUCTURE

1977 • 2,631 citations

Brownian dynamics with hydrodynamic interactions

1978 • 2,414 citations

Kinetic theory of gases

1958 • 2,020 citations

Dynamics of folded proteins

1977 • 1,929 citations

Algorithms for macromolecular dynamics and constraint dynamics

1977 • 1,704 citations

Dynamics of ligand binding to myoglobin

1975 • 1,616 citations

Temperature dependent activation energy for electron transfer between biological molecules

1976 • 1,382 citations

Nuclear Magnetic Resonance

1956 • 1,215 citations

Temperature-dependent X-ray diffraction as a probe of protein structural dynamics

1979 • 1,136 citations

Time-Correlation Functions and Transport Coefficients in Statistical Mechanics

1965 • 1,121 citations

Gas Phase Reaction Rate Theory

1966 • 1,119 citations

A simplified representation of protein conformations for rapid simulation of protein folding

1976 • 1,099 citations

Thermodynamics of Small Systems

1962 • 1,082 citations

Principles of protein–protein recognition

1975 • 1,028 citations

Exposure of tryptophanyl residues in proteins. Quantitative determination by fluorescence quenching studies

1976 • 1,020 citations

Molecular Basis of Visual Excitation

1968 • 1,002 citations

Exchange Reactions with Activation Energy. I. Simple Barrier Potential for (H, H2)

1965 • 975 citations

Electron Transfer Between Biological Molecules by Thermally Activated Tunneling

1974 • 894 citations

Heat capacity and entropy changes in processes involving proteins.

1977 • 846 citations

Binding Energy, Specificity, and Enzymic Catalysis: The Circe Effect

1975 • 844 citations

Quenching of protein fluorescence by oxygen. Detection of structural fluctuations in proteins on the nanosecond time scale

1973 • 774 citations

Electrostatic Effects in Proteins

1978 • 734 citations

Lecture Notes in Biomathematics

1978 • 680 citations

Structural basis of the activation and action of trypsin

1978 • 669 citations

Statistical Mechanics

1977 • 650 citations

Peptides, polypeptides and proteins

1976 • 530 citations

Bicycle-pedal model for the first step in the vision process

1976 • 527 citations

Energetics of Ligand Binding to Proteins

1975 • 519 citations

Proton magnetic relaxation and spin diffusion in proteins

1976 • 500 citations

Segmental flexibility in an antibody molecule

1970 • 465 citations

Theory of Nuclear Overhauser Enhancement and C13–1H Dipolar Relaxation in Proton-Decoupled Carbon-13 NMR Spectra of Macromolecules

1972 • 450 citations

Dynamics of ligand binding to heme proteins

1979 • 440 citations

Crystallographic studies of the dynamic properties of lysozyme

1979 • 437 citations

Three-dimensional fourier synthesis of human deoxyhaemoglobin at 2·5 Å resolution: Refinement of the atomic model

1975 • 431 citations

Hydrogen Exchange

1972 • 423 citations

Crystallographic structure studies of an IgG molecule and an Fc fragment

1976 • 416 citations

Solvation. A molecular dynamics study of a dipeptide in water

1979 • 406 citations

Thermodynamic fluctuations in protein molecules.

1976 • 376 citations

The hinge-bending mode in lysozyme

1976 • 370 citations

Structure of myoglobin refined at 2·0 Å resolution

1977 • 365 citations

Perfection in enzyme catalysis: the energetics of triosephosphate isomerase

1977 • 359 citations

On the Use of Classical Statistical Mechanics in the Treatment of Polymer Chain Conformation

1976 • 357 citations

Theory of NMR relaxation in macromolecules: Restricted diffusion and jump models for multiple internal rotations in amino acid side chains

1978 • 347 citations

Picosecond dynamics of tyrosine side chains in proteins

1979 • 336 citations

Structure of proteins: packing of alpha-helices and pleated sheets.

1977 • 333 citations

Subnanosecond motions of tryptophan residues in proteins

1979 • 325 citations

Statistical Error Due to Finite Time Averaging in Computer Experiments

1969 • 313 citations

The transition of bovine trypsinogen to a trypsin-like state upon strong ligand binding

1978 • 301 citations

An X-ray study of azide methaemoglobin

1966 • 294 citations

Side-chain torsional potentials: effect of dipeptide, protein, and solvent environment

1979 • 294 citations

Exposure of tryptophanyl residues and protein dynamics

1977 • 287 citations

Stereochemistry of Cooperative Effects in Hemoglobin

1972 • 282 citations

Motions in Proteins

1979 • 281 citations

Space-Filling Models of Kinase Clefts and Conformation Changes

1979 • 280 citations

Structure and Function of Cytochromes C

1977 • 279 citations

Dynamics of the aromatic amino acid residues in the globular conformation of the basic pancreatic trypsin inhibitor (BPTI)

1976 • 260 citations

Statistical theories of chemical reactions. Distributions in the transition region

1973 • 245 citations

Segmental flexibility of the S-1 moiety of myosin

1973 • 233 citations

Energy refinement of hen egg-white lysozyme

1974 • 233 citations

Space-Filling Models of Kinase Clefts and Conformation Changes: Comparison of the surface structures of kinase enzymes implicates closing clefts in their mechanism.

1979 • 223 citations

Enzyme Dynamics: The Statistical Physics Approach

1979 • 220 citations

Primary photochemical event in vision: proton translocation.

1977 • 216 citations

Sidechain torsional potentials and motion of amino acids in porteins: bovine pancreatic trypsin inhibitor.

1975 • 215 citations

Fluorotyrosine alkaline phosphatase: Internal mobility of individual tyrosines and the role of chemical shift anisotropy as a 19F nuclear spin relaxation mechanism in proteins

1975 • 213 citations

Hydrogen Exchange Kinetics and Internal Motions in Proteins and Nucleic Acids

1979 • 213 citations

Mechanism of tertiary structural change in hemoglobin.

1977 • 212 citations

Statistical investigation of dissociation cross-sections for diatoms

1962 • 200 citations

Binding of flexible ligands to macromolecules

1975 • 199 citations

Room Temperature Phosphorescence and the Dynamic Aspects of Protein Structure

1974 • 198 citations

Statistical Time Events in Enzymes: A Physical Assessmen

1975 • 194 citations

Nuclear magnetic resonance of labile protons in the basic pancreatic trypsin inhibitor

1979 • 191 citations

Carbon-13-NMR of peptides and proteins

1978 • 189 citations

Diffusion–collision model for protein folding

1979 • 183 citations

Conformationally Dependent Low-Frequency Motions of Proteins by Laser Raman Spectroscopy

1972 • 176 citations

Laser Raman Scattering as a Probe of Protein Structure

1977 • 172 citations

Theory of differential phase fluorometry: Detection of anisotropic molecular rotations

1977 • 164 citations

Complete tyrosine assignments in the high field proton nuclear magnetic resonance spectrum of the bovine pancreatic trypsin inhibitor

1975 • 156 citations

Binding of carbon monoxide to isolated hemoglobin chains

1978 • 155 citations

Receptors and Recognition

1977 • 155 citations

Dynamics of a protein matrix revealed by fluorescence quenching.

1975 • 154 citations

Dynamic information from protein crystallography

1979 • 152 citations

Entropy Changes Accompanying Association Reactions of Proteins

1963 • 152 citations

Vibrational analysis of peptides, polypeptides, and proteins: Characteristic amide bands of β-turns

1979 • 146 citations

Protein structural fluctuations during a period of 100 ps

1979 • 142 citations

Temperature dependent molecular motion of a tyrosine residue of ferrocytochrome C

1976 • 138 citations

Low‐frequency Raman spectra of lysozyme

1976 • 137 citations

Structure and mechanism in the enzymic activity of carboxypeptidase A and relations to chemical sequence

1970 • 135 citations

Correlation between the amide proton exchange rates and the denaturation temperatures in globular proteins related to the basic pancreatic trypsin inhibitor

1979 • 134 citations

Tuna cytochrome c at 2.0 A resolution. III. Coordinate optimization and comparison of structures.

1977 • 131 citations

Proton magnetic resonance studies of the tyrosine residues of hen lysozyme-assignment and detection of conformational mobility

1975 • 129 citations

Yeast hexokinase in solution exhibits a large conformational change upon binding glucose or glucose 6-phosphate

1979 • 129 citations

Electronic Structure of Atoms and Molecules

2009 • 128 citations

Diffusive langevin dynamics of model alkanes

1979 • 124 citations

Rotational anisotropy and solvent–fluorophore bonds: An investigation by differential polarized phase fluorometry

1977 • 120 citations

Kinetics of the exchange of individual amide protons in the basic pancreatic trypsin inhibitor

1979 • 115 citations

The spectral properties of some visual pigment analogs

1973 • 115 citations

Crystallographic studies of protein denaturation and renaturation. 2. Sodium dodecyl sulfate induced structural changes in triclinic lysozyme

1977 • 114 citations

X-ray Crystallographic Studies of Proteins

1976 • 114 citations

Coupling between oxidation state and hydrogen bond conformation in heme proteins

1979 • 113 citations

Time-Resolved Spectroscopy of Hemoglobin and Its Complexes with Subpicosecond Optical Pulsess

1976 • 112 citations

Calculated carbon-13 NMR relaxation parameters for a restricted internal diffusion model. Application to methionine relaxation in dihydrofolate reductase

1978 • 107 citations

Conformational Adaptability in Enzymes

1973 • 105 citations

1H Nuclear-Magnetic-Resonance Studies of the Molecular Conformation of Monomeric Glucagon in Aqueous Solution

1978 • 103 citations

Dynamic model of globular protein conformations based on NMR studies in solution

1978 • 103 citations

Helix–coil transitions in a simple polypeptide model

1980 • 97 citations

Addition of higher cumulants to the crystallographic structure-factor equation: a generalized treatment for thermal-motion effects

1969 • 96 citations

Brownian motion and chemical dynamics on solid surfaces

1977 • 96 citations

Raman Spectroscopy: A Conformational Probe in Biochemistr

1977 • 96 citations

MEASUREMENT OF STRUCTURAL AND FREE ENERGY CHANGES IN HEMOGLOBIN BY HYDROGEN EXCHANGE METHODS

1975 • 96 citations

Kinetic evidence for hapten-induced conformational transition in immunoglobin MOPC 460.

1976 • 95 citations

Vibrational Analysis of Peptides, Polypeptides, and Proteins. 3. α-Poly(L-alanine)

1977 • 94 citations

[18] Low frequency vibrations and the dynamics of proteins and polypeptides

1979 • 93 citations

Molecular Dynamics and Monte Carlo Calculations in Statistical Mechanics

1976 • 92 citations

The structure of triclinic lysozyme at 2·5 Å resolution

1976 • 91 citations

Slip boundary conditions and the hydrodynamic effect on diffusion controlled reactions

1976 • 89 citations

Light Energy Transduction in Visual Pigments and Bacteriorhodopsin

1978 • 89 citations

Nuclear magnetic resonance studies of sperm whale myoglobin specifically enriched with 13C in the methionine methyl groups.

1976 • 88 citations

Exact Defect Calculations in Model Substances

1975 • 87 citations

Mesure de la décroissance de la fluorescence polarisée de la γ-globuline-1-sulfonyl-5-diméthylaminonaphtalène

1969 • 87 citations

Fast relaxation processes in a protein revealed by the decay kinetics of tryptophan fluorescence

1974 • 87 citations

Dynamics of activated processes in globular proteins.

1979 • 86 citations

Vibrational approach to the dynamics of an α‐helix

1979 • 85 citations

Statistical Mechanics of Molecular Motion in Dense Fluids

1977 • 85 citations

Variability in the tertiary structure of α-chymotrypsin at 2.8-Å resolution

1973 • 84 citations

Cis–trans isomerisation in rhodopsin occurs in picoseconds

1977 • 83 citations

Internal motions of antibody molecules

1977 • 81 citations

Stereochemical Trigger for Initiating Cooperative Interaction of the Subunits During the Oxygenation of Cobaltohemoglobin

1973 • 80 citations

A ¹H Nuclear‐Magnetic‐Resonance Study of the Conformation and the Molecular Dynamics of the Glycoprotein Cow‐Colostrum Trypsin Inhibitor

1978 • 79 citations

Dynamics of the aromatic amino acid residues in the globular conformation of the basic pancreatic trypsin inhibitor (BPTI)

1976 • 78 citations

Structural studies of macromolecules by spectroscopic methods

1977 • 73 citations

Analysis of the interaction of organic phosphates with hemoglobin

1976 • 72 citations

Intermediate structure of normal human haemoglobin: Methaemoglobin in the deoxy quaternary conformation

1973 • 72 citations

BREATHING MODE OF CONFORMATIONAL FLUCTUATIONS IN GLOBULAR PROTEINS

1975 • 71 citations

Nanosecond transient Raman spectra of photolysed carboxyhaemoglobin

1978 • 67 citations

Picosecond photodissociation and subsequent recombination processes in carbon monoxide hemoglobin.

1978 • 67 citations

Flexibility of myosin rod, light meromyosin, and myosin subfragment-2 in solution.

1977 • 65 citations

Carbon-13 nuclear magnetic resonance study of molecular motions and conformational transitions in muscle calcium binding parvalbumins

1976 • 64 citations

Fluctuations of an α‐helix

1976 • 59 citations

Fluorescence depolarization studies on the flexibility of myosin rod

1977 • 59 citations

Mechanism of isotope exchange kinetics of single protons in bovine pancreatic trypsin inhibitor

1979 • 55 citations

Studies of exchangeable hydrogens in lysozyme by means of Fourier transform proton magnetic resonance

1975 • 53 citations

Refinement of the x-ray structure of lysozyme by complete energy minimization

1974 • 52 citations

Kinetic analysis of the properties and reactions of enzymes

1976 • 52 citations

Flexible Drug Molecules and Dynamic Receptors

1977 • 52 citations

Time-Resolved Resonance Raman Spectroscopy of Hemoglobin Derivatives: Heme Structure Changes in 7 Nanoseconds

1978 • 51 citations

Relationship between the lifetime of an enzyme-substrate complex and the properties of the molecular environment

1975 • 50 citations

Enzymic dynamics and molecular orbital study on the roles of arginines in carboxypeptidase A, a sliding mechanism

1978 • 49 citations

The Kinetics of Conformational Changes in Hemoglobin, Studied by Laser Photolysis

1974 • 49 citations

Nuclear magnetic resonance measurement of hydrogen exchange kinetics of single protons in basic pancreatic trypsin inhibitor

1978 • 48 citations

Conformation of immunoglobulin M. 2. Nanosecond fluorescence depolarization analysis of segmental flexibility in anti-iε-1-dimethylamino-5-naphthalenesulfonyl-L-lysine anti-immunoglobulin from horse, pig, and shark

1976 • 46 citations

Proton nuclear magnetic resonance study of histidine ionizations in myoglobins of various species. Specific assignment of individual resonances

1978 • 46 citations

Investigation of labeled amino acid side-chain motion in collagen using 13C nuclear magnetic resonance

1980 • 45 citations

The vibrational and rotational relaxation of iodine in solution by resonance Raman lineshape measurement

1978 • 45 citations

Optically Detected Conformational Changes in Haemoglobin Single Crystals

1974 • 45 citations

Dynamics of tyrosine ring rotations in a globular protein

1980 • 43 citations

Raman scattering of native and thermally denatured lysozyme

1972 • 43 citations

Aliphatic groups of sperm whale myoglobin: 13C NMR study.

1979 • 43 citations

PICOSECOND AND NANOSECOND TSOMERIZATION KINETICS OF PROTONATED 11‐CIS RETINYLIDENE SCHIFF BASES

1977 • 43 citations

Cryoenzymology: the study of enzyme mechanisms at subzero temperatures

1977 • 43 citations

Fluctuations and mechanical strength of α‐helices of polyglycine and poly(<scp>L</scp>‐alanine)

1976 • 42 citations

Comparison of the three basic scattering functions of myoglobin in solution with those from the known structure in crystalline state

1973 • 41 citations

Rotational motions in myoglobin assessed by carbon 13 relaxation measurements at two magnetic field strengths.

1975 • 41 citations

Conformations of twisted parallel beta-sheets and the origin of chirality in protein structures.

1979 • 40 citations

Conformational flexibility and protein folding: rigid structural fragments connected by flexible joints in subtilisin BPN.

1976 • 39 citations

Effect of internal librational motions on the 13C nuclear magnetic resonance relaxation times of proteins and peptides

1978 • 39 citations

On the Flexure and the Vibrations of a Curved Bar

1887 • 38 citations

Hydrogen-exchange study of lysozyme conformation changes induced by inhibitor binding

1974 • 37 citations

Picosecond dynamics of iron proteins

1977 • 36 citations

Unimolecular behavior of very large molecules. 1. Theoretical preliminaries

1977 • 34 citations

Role of flexibility in the specificity, control and evolution of enzymes

1976 • 33 citations

Preliminary attempt to follow the enthalpy of an enzymatic reaction by ab initio computations: Catalytic action of papain

1978 • 33 citations

Inter‐domain mobility in proteins and its probable functional role

1978 • 33 citations

Vibrational Spectra of Polypeptides

1976 • 33 citations

Frictional properties of multisubunit structures

1975 • 33 citations

Hydrodynamic Effect on the Coagulation of Porous Biopolymers

1977 • 31 citations

Photoisomerization kinetics of 11-cis-retinal, its Schiff base, and its protonated Schiff base

1976 • 30 citations

Nonsteady hydrodynamics of biopolymer motions

1977 • 30 citations

Photochemical cis–trans isomerisation of bovine rhodopsin at liquid helium temperatures

1978 • 29 citations

Inelastic laser light scattering from synthetic and biological polymers

1975 • 27 citations

Vibrational states of the biopolymer polyglycine II: theory and experiment

1975 • 27 citations

Stochastic reduction for dynamics of reactions with complex formation

1977 • 27 citations

Neutron‐scattering spectroscopy of the α‐ and β‐ forms of poly‐<scp>L</scp>‐alanine. Motion of the methyl side chain

1975 • 26 citations

Rate of quaternary structure change in hemoglobin measured by modulated excitation.

1976 • 25 citations

Dynamic solvent accessibility in the soybean trypsin inhibitor-trypsin complex

1977 • 24 citations

The rate of entry of dioxygen and carbon monoxide into myoglobin

1978 • 23 citations

Sperm whale myoglobin structure in solution differs from its structure in crystal by a shift of the ‘hairpin’ Gh

1978 • 22 citations

Kinetics and mechanisms. The influence of fluctuations in protein charge and charge configuration on the rates of enzymatic reactions

1955 • 22 citations

Far‐infrared spectrum of crystalline lysozyme

1979 • 21 citations

Shape of the conformational energy surface near the global minimum and low‐frequency vibrations in the native conformation of globular proteins

1978 • 19 citations

Low Values of the Scheraga–Mandelkern β parameter for proteins. An explanation based on porous sphere hydrodynamics

1975 • 19 citations

An Approach for the Determination of Equilibrium Constant of Structural Motility

1974 • 18 citations

Effect of inter‐subunit contact on intramolecular conformational motility (conformational stability) of hemoglobin as revealed by hydrogen exchange

1976 • 17 citations

The structure of phage T4 lysozyme in solution noticeably differs from its crystalline structure

1978 • 16 citations

Molecular orbital studies of enzyme activity. 4. Hydrolysis of peptides by carboxypeptidase A

1977 • 16 citations

The Determination of Molecular-Motion Parameters from Proton-Relaxation-Enhancement Measurements in a Number of Gd(III) . antibody-fragment Complexes. A Comparative Study

1977 • 14 citations

Structure of simple viruses: Specificity and flexibility in protein assemblies

1978 • 12 citations

Thermodynamics of small-amplitude conformational fluctuations in native globular proteins.

1980 • 10 citations

Fluorescence relaxation and correlation spectroscopy in the analysis of conformational dynamics

1977 • 5 citations

Models for hydrogen exchange from folded proteins. II

1978 • 4 citations

Biochemical applications of relaxation kinetics

1976 • 4 citations

Future trends Why mechanistic enzymology?

1977 • 3 citations

Dynamics of polypeptide chains.

1976 • 2 citations

Dynamics of CO binding to heme proteins

2009 • 1 citations