Thermal expansion of a protein.

Hidden alternative structures of proline isomerase essential for catalysis. Nature (2009) 3.28

Accessing protein conformational ensembles using room-temperature X-ray crystallography. Proc Natl Acad Sci U S A (2011) 2.92

Protein hydration elucidated by molecular dynamics simulation. Proc Natl Acad Sci U S A (1993) 2.26

Transient tension changes initiated by laser temperature jumps in rabbit psoas muscle fibres. J Physiol (1987) 2.04

Structural determinants of nitroxide motion in spin-labeled proteins: tertiary contact and solvent-inaccessible sites in helix G of T4 lysozyme. Protein Sci (2007) 2.01

Electron transfer and protein dynamics in the photosynthetic reaction center. Biophys J (1998) 1.92

Evidence that a distribution of bacterial reaction centers underlies the temperature and detection-wavelength dependence of the rates of the primary electron-transfer reactions. Proc Natl Acad Sci U S A (1990) 1.85

Solid-liquid phase boundaries of lens protein solutions. Proc Natl Acad Sci U S A (1992) 1.59

Comparison of the dynamics of myoglobin in different crystal forms. Biophys J (1990) 1.31

Some thermodynamic implications for the thermostability of proteins. Protein Sci (2001) 1.16

Alteration of citrine structure by hydrostatic pressure explains the accompanying spectral shift. Proc Natl Acad Sci U S A (2008) 1.14

Conformational substates in enzyme mechanism: the 120 K structure of alpha-lytic protease at 1.5 A resolution. Protein Sci (1997) 1.13

Crystal cryocooling distorts conformational heterogeneity in a model Michaelis complex of DHFR. Structure (2014) 1.10

Direct observation of microscopic reversibility in single-molecule protein folding. J Mol Biol (2006) 1.06

Mapping molecular flexibility of proteins with site-directed spin labeling: a case study of myoglobin. Biochemistry (2012) 1.04

Progress in rational methods of cryoprotection in macromolecular crystallography. Acta Crystallogr D Biol Crystallogr (2010) 1.02

Intrinsic compressibility and volume compression in solvated proteins by molecular dynamics simulation at high pressure. Proc Natl Acad Sci U S A (1996) 0.99

Molecular and stochastic dynamics of proteins. Proc Natl Acad Sci U S A (1987) 0.93

X-ray crystallographic analysis of the structural basis for the interactions of pokeweed antiviral protein with its active site inhibitor and ribosomal RNA substrate analogs. Protein Sci (1999) 0.92

E pluribus unum, no more: from one crystal, many conformations. Curr Opin Struct Biol (2014) 0.91

Mapping protein conformational heterogeneity under pressure with site-directed spin labeling and double electron-electron resonance. Proc Natl Acad Sci U S A (2014) 0.90

FTIR spectroscopic study of the dynamics of conformational substates in hydrated carbonyl-myoglobin films via temperature dependence of the CO stretching band parameters. Biophys J (1994) 0.89

Mapping the conformational landscape of a dynamic enzyme by multitemperature and XFEL crystallography. Elife (2015) 0.88

Room-temperature macromolecular crystallography using a micro-patterned silicon chip with minimal background scattering. J Appl Crystallogr (2016) 0.85

Protein flexibility: coordinate uncertainties and interpretation of structural differences. Acta Crystallogr D Biol Crystallogr (2009) 0.85

Circular dichroism and site-directed spin labeling reveal structural and dynamical features of high-pressure states of myoglobin. Proc Natl Acad Sci U S A (2013) 0.83

Elucidation of the binding mechanism of coumarin derivatives with human serum albumin. PLoS One (2013) 0.82

Flexibility in crystalline insulins. Biophys J (1992) 0.82

Molecular dynamics simulations of a hydrated protein vectorially oriented on polar and nonpolar soft surfaces. Biophys J (2002) 0.81

The Principles of Buoyancy in Marine Fish Eggs and Their Vertical Distributions across the World Oceans. PLoS One (2015) 0.81

Thermal unfolding of a mammalian pentameric ligand-gated ion channel proceeds at consecutive, distinct steps. J Biol Chem (2012) 0.81

Computational studies on mutant protein stability: The correlation between surface thermal expansion and protein stability. Protein Sci (1999) 0.81

Atomic-resolution structures of horse liver alcohol dehydrogenase with NAD(+) and fluoroalcohols define strained Michaelis complexes. Biochemistry (2012) 0.81

Structure of cubic insulin crystals in glucose solutions. Biophys J (1998) 0.78

Mechanism of pressure-induced thermostabilization of proteins: studies of glutamate dehydrogenases from the hyperthermophile Thermococcus litoralis. Protein Sci (2001) 0.77

Local compressibilities of proteins: comparison of optical experiments and simulations for horse heart cytochrome-c. Biophys J (2005) 0.77

Factors correlating with significant differences between X-ray structures of myoglobin. Acta Crystallogr D Biol Crystallogr (2014) 0.76

Structural and Thermodynamic Properties of Septin 3 Investigated by Small-Angle X-Ray Scattering. Biophys J (2015) 0.75

X-ray evidence of a native state with increased compactness populated by tryptophan-less B. licheniformis β-lactamase. Protein Sci (2012) 0.75

Protein-ligand complex structure from serial femtosecond crystallography using soaked thermolysin microcrystals and comparison with structures from synchrotron radiation. Acta Crystallogr D Struct Biol (2017) 0.75

All-atom empirical potential for molecular modeling and dynamics studies of proteins. J Phys Chem B (1998) 54.00

CHARMM: the biomolecular simulation program. J Comput Chem (2009) 27.71

Dynamics of ligand binding to myoglobin. Biochemistry (1975) 17.10

Crystallographic R factor refinement by molecular dynamics. Science (1987) 15.90

Solvent-accessible surfaces of proteins and nucleic acids. Science (1983) 11.29

The structure of an antigenic determinant in a protein. Cell (1984) 10.85

Protein states and proteinquakes. Proc Natl Acad Sci U S A (1985) 10.43

Effective energy function for proteins in solution. Proteins (1999) 9.44

Structural mechanism for STI-571 inhibition of abelson tyrosine kinase. Science (2000) 9.29

Temperature-dependent X-ray diffraction as a probe of protein structural dynamics. Nature (1979) 9.27

Dynamics of folded proteins. Nature (1977) 7.82

Crystal structure of the Src family tyrosine kinase Hck. Nature (1997) 7.66

How does a protein fold? Nature (1994) 7.55

Conformational substates in proteins. Annu Rev Biophys Biophys Chem (1988) 7.26

Aromatic-aromatic interaction: a mechanism of protein structure stabilization. Science (1985) 6.87

Crystal structure of the eukaryotic DNA polymerase processivity factor PCNA. Cell (1994) 6.54

Refined crystal structure of the triphosphate conformation of H-ras p21 at 1.35 A resolution: implications for the mechanism of GTP hydrolysis. EMBO J (1990) 6.51

Evaluation of comparative protein modeling by MODELLER. Proteins (1995) 6.42

Backbone-dependent rotamer library for proteins. Application to side-chain prediction. J Mol Biol (1993) 6.26

Hydration of proteins and polypeptides. Adv Protein Chem (1974) 6.25

pKa's of ionizable groups in proteins: atomic detail from a continuum electrostatic model. Biochemistry (1990) 5.92

Three-dimensional structure of the beta subunit of E. coli DNA polymerase III holoenzyme: a sliding DNA clamp. Cell (1992) 5.77

A geometric approach to macromolecule-ligand interactions. J Mol Biol (1982) 5.71

Binding of a high affinity phosphotyrosyl peptide to the Src SH2 domain: crystal structures of the complexed and peptide-free forms. Cell (1993) 5.47

The catalytic pathway of cytochrome p450cam at atomic resolution. Science (2000) 5.42

Structure of the C-terminal region of p21(WAF1/CIP1) complexed with human PCNA. Cell (1996) 5.38

Harmonic dynamics of proteins: normal modes and fluctuations in bovine pancreatic trypsin inhibitor. Proc Natl Acad Sci U S A (1983) 5.27

Crystallographic analysis of the recognition of a nuclear localization signal by the nuclear import factor karyopherin alpha. Cell (1998) 5.27

Multiple conformational states of proteins: a molecular dynamics analysis of myoglobin. Science (1987) 4.89

Crystalline ribonuclease A loses function below the dynamical transition at 220 K. Nature (1992) 4.80

Molecular dynamics and protein function. Proc Natl Acad Sci U S A (2005) 4.70

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

Invasive procedures in children receiving intensive care. BMJ (1993) 4.54

DOCK 4.0: search strategies for automated molecular docking of flexible molecule databases. J Comput Aided Mol Des (2001) 4.54

Collective motions in proteins: a covariance analysis of atomic fluctuations in molecular dynamics and normal mode simulations. Proteins (1991) 4.53

The structural basis of the activation of Ras by Sos. Nature (1998) 4.50

Crystal structure of the phosphotyrosine recognition domain SH2 of v-src complexed with tyrosine-phosphorylated peptides. Nature (1992) 4.46

Solvent viscosity and protein dynamics. Biochemistry (1980) 4.35

Activation of the Src-family tyrosine kinase Hck by SH3 domain displacement. Nature (1997) 4.26

The molecular surface package. J Mol Graph (1993) 4.24

Protein-folding dynamics. Nature (1976) 4.11

"New view" of protein folding reconciled with the old through multiple unfolding simulations. Science (1997) 3.93

Crystal structure of the conserved core of HIV-1 Nef complexed with a Src family SH3 domain. Cell (1996) 3.88

Crystal structure of a tyrosine phosphorylated STAT-1 dimer bound to DNA. Cell (1998) 3.79

Three-dimensional structure of the catalytic subunit of protein serine/threonine phosphatase-1. Nature (1995) 3.77

Crystal structure of Hck in complex with a Src family-selective tyrosine kinase inhibitor. Mol Cell (1999) 3.73

Rebinding and relaxation in the myoglobin pocket. Biophys Chem (1987) 3.58

X-ray structure and refinement of carbon-monoxy (Fe II)-myoglobin at 1.5 A resolution. J Mol Biol (1986) 3.49

Amino-aromatic interactions in proteins. FEBS Lett (1986) 3.47

Crystal structure of the cytoplasmic domain of the type I TGF beta receptor in complex with FKBP12. Cell (1999) 3.47

Time-resolved X-ray crystallographic study of the conformational change in Ha-Ras p21 protein on GTP hydrolysis. Nature (1990) 3.47

Slaving: solvent fluctuations dominate protein dynamics and functions. Proc Natl Acad Sci U S A (2002) 3.40

Dynamics of metmyoglobin crystals investigated by nuclear gamma resonance absorption. J Mol Biol (1981) 3.38

Ion transport in a model gramicidin channel. Structure and thermodynamics. Biophys J (1991) 3.38

Solvent effects on protein motion and protein effects on solvent motion. Dynamics of the active site region of lysozyme. J Mol Biol (1989) 3.37

Picosecond dynamics of tyrosine side chains in proteins. Biochemistry (1979) 3.35

Dynamics of ligand binding to heme proteins. J Mol Biol (1979) 3.35

Crystal structure of the nucleotide exchange factor GrpE bound to the ATPase domain of the molecular chaperone DnaK. Science (1997) 3.31

Polar hydrogen positions in proteins: empirical energy placement and neutron diffraction comparison. Proteins (1988) 3.30

Rate theories and puzzles of hemeprotein kinetics. Science (1985) 3.30

Weakly polar interactions in proteins. Adv Protein Chem (1988) 3.26

Dynamic coupling between the SH2 and SH3 domains of c-Src and Hck underlies their inactivation by C-terminal tyrosine phosphorylation. Cell (2001) 3.25

Conformational substates in a protein: structure and dynamics of metmyoglobin at 80 K. Proc Natl Acad Sci U S A (1982) 3.25

Conformational analysis of the backbone-dependent rotamer preferences of protein sidechains. Nat Struct Biol (1994) 3.20

Kinetics of protein folding. A lattice model study of the requirements for folding to the native state. J Mol Biol (1994) 3.16

Structure of chicken muscle triose phosphate isomerase determined crystallographically at 2.5 angstrom resolution using amino acid sequence data. Nature (1975) 3.15

Protein dynamics. Mössbauer spectroscopy on deoxymyoglobin crystals. J Mol Biol (1982) 3.14

The evolution of alpha/beta barrel enzymes. Trends Biochem Sci (1990) 3.12

Three key residues form a critical contact network in a protein folding transition state. Nature (2001) 3.09

Cavities in proteins: structure of a metmyoglobin-xenon complex solved to 1.9 A. Biochemistry (1984) 3.05

Understanding beta-hairpin formation. Proc Natl Acad Sci U S A (1999) 3.01

Discrimination of the native from misfolded protein models with an energy function including implicit solvation. J Mol Biol (1999) 2.99

High throughput protein fold identification by using experimental constraints derived from intramolecular cross-links and mass spectrometry. Proc Natl Acad Sci U S A (2000) 2.96

Molecular dynamics simulations in biology. Nature (1990) 2.95

Dynamical theory of activated processes in globular proteins. Proc Natl Acad Sci U S A (1982) 2.94

Locally accessible conformations of proteins: multiple molecular dynamics simulations of crambin. Protein Sci (1998) 2.94

Effective energy functions for protein structure prediction. Curr Opin Struct Biol (2000) 2.92

Hydration of macromolecules. Science (1969) 2.88

The TGF beta receptor activation process: an inhibitor- to substrate-binding switch. Mol Cell (2001) 2.87

Ligand binding to heme proteins: connection between dynamics and function. Biochemistry (1991) 2.85

Solvent mobility and the protein 'glass' transition. Nat Struct Biol (2000) 2.83

High resolution crystal structure of a paired (Pax) class cooperative homeodomain dimer on DNA. Cell (1995) 2.78

The hinge-bending mode in lysozyme. Nature (1976) 2.78

Adjustment of conformational flexibility is a key event in the thermal adaptation of proteins. Proc Natl Acad Sci U S A (1998) 2.77

Understanding protein folding via free-energy surfaces from theory and experiment. Trends Biochem Sci (2000) 2.73

Hidden thermodynamics of mutant proteins: a molecular dynamics analysis. Science (1989) 2.72