Molecular dynamics simulations of the hyperthermophilic protein sac7d from Sulfolobus acidocaldarius : contribution of salt bridges to thermostability 1 1Edited by B. Honig

CRC Handbook of Chemistry and Physics

2014 • 56,288 citations

Molecular dynamics with coupling to an external bath

1984 • 27,984 citations

Numerical integration of the cartesian equations of motion of a system with constraints: molecular dynamics of n-alkanes

1977 • 19,896 citations

Intermolecular and Surface Forces

2011 • 17,408 citations

Dictionary of protein secondary structure: Pattern recognition of hydrogen‐bonded and geometrical features

1983 • 14,802 citations

MOLSCRIPT: a program to produce both detailed and schematic plots of protein structures

1991 • 14,222 citations

Intermolecular and Surface Forces

2011 • 7,781 citations

Interaction Models for Water in Relation to Protein Hydration

1981 • 5,479 citations

Computer Simulation Using Particles

1988 • 5,374 citations

Dominant forces in protein folding

1990 • 3,682 citations

Proteins: Structures and Molecular Properties

1986 • 2,694 citations

THEORY OF PROTEIN FOLDING: The Energy Landscape Perspective

1997 • 2,102 citations

Intermolecular Forces

1980 • 1,807 citations

Computer Simulation Using Particles

1988 • 1,744 citations

A new method for predicting binding affinity in computer-aided drug design

1994 • 1,154 citations

Energetics of Protein Structure

1995 • 1,040 citations

Protein Folding: A Perspective from Theory and Experiment

1998 • 840 citations

Protein thermal stability, hydrogen bonds, and ion pairs

1997 • 695 citations

Do salt bridges stabilize proteins? A continuum electrostatic analysis

1994 • 629 citations

Protein stability and molecular adaptation to extreme conditons

1991 • 609 citations

The effect of high pressure upon proteins and other biomolecules

1983 • 489 citations

Pressure denaturation of metmyoglobin

1973 • 475 citations

STRUCTURAL AND GENETIC ANALYSIS OF PROTEIN STABILITY

1993 • 455 citations

Strength and co-operativity of contributions of surface salt bridges to protein stability

1990 • 415 citations

The structure of Pyrococcus furiosus glutamate dehydrogenase reveals a key role for ion-pair networks in maintaining enzyme stability at extreme temperatures

1995 • 409 citations

Effects of temperature on protein structure and dynamics: x-ray crystallographic studies of the protein ribonuclease-A at nine different temperatures from 98 to 320K

1992 • 399 citations

Hyperthermophilic microorganisms

1990 • 335 citations

Ewald artifacts in computer simulations of ionic solvation and ion–ion interaction: A continuum electrostatics study

1999 • 333 citations

The stability of salt bridges at high temperatures: implications for hyperthermophilic proteins 1 1Edited by B. Honig

1998 • 304 citations

Thermozymes: Identifying molecular determinants of protein structural and functional stability

1996 • 292 citations

On the Validity of Electrostatic Linear Response in Polar Solvents

1996 • 279 citations

ENZYMES UNDER EXTREMES OF PHYSICAL CONDITIONS

1981 • 275 citations

Free Energy Balance in Protein Folding

1995 • 274 citations

Protein thermostability above 100°C: A key role for ionic interactions

1998 • 271 citations

The refined crystal structure of Bacillus cereus oligo-1,6-glucosidase at 2.0 å resolution: structural characterization of proline-substitution sites for protein thermostabilization

1997 • 266 citations

Molecular basis for the Born model of ion solvation

1990 • 238 citations

Cutoff size does strongly influence molecular dynamics results on solvated polypeptides

1992 • 225 citations

2.0 å structure of indole-3-glycerol phosphate synthase from the hyperthermophile Sulfolobus solfataricus: possible determinants of protein stability

1995 • 224 citations

Effect of artificial periodicity in simulations of biomolecules under Ewald boundary conditions: a continuum electrostatics study

1999 • 218 citations

The hyperthermophile chromosomal protein Sac7d sharply kinks DNA

1998 • 211 citations

Determinants of Enzyme Thermostability Observed in the Molecular Structure ofThermusaquaticus<scp>d</scp>-Glyceraldehyde-3-phosphate Dehydrogenase at 2.5 Å Resolution^,

1996 • 204 citations

A Comparison of Particle-Particle, Particle-Mesh and Ewald Methods for Calculating Electrostatic Interactions in Periodic Molecular Systems

1994 • 202 citations

Proteins: Structures and Molecular Properties

1985 • 198 citations

Enthalpic Contribution to Protein Stability: Insights from Atom-Based Calculations and Statistical Mechanics

1995 • 182 citations

Acid and Thermal Denaturation of Barnase Investigated by Molecular Dynamics Simulations

1995 • 175 citations

Protein Unfolding Pathways Explored Through Molecular Dynamics Simulations

1993 • 171 citations

Surface electrostatic interactions contribute little to stability of barnase

1991 • 168 citations

A model of the molten globule state from molecular dynamics simulations.

1992 • 163 citations

Solution structure and DNA-binding properties of a thermostable protein from the archaeon Sulfolobus solfataricus

1994 • 163 citations

Lattice-sum methods for calculating electrostatic interactions in molecular simulations

1995 • 162 citations

Alternative schemes for the inclusion of a reaction-field correction into molecular dynamics simulations: Influence on the simulated energetic, structural, and dielectric properties of liquid water

1998 • 158 citations

Molecular dynamics simulation of protein denaturation:solvation of the hydrophobic cores and secondary structure ofbarnase.

1994 • 157 citations

Proline residues responsible for thermostability occur with high frequency in the loop regions of an extremely thermostable oligo-1,6-glucosidase from Bacillus thermoglucosidasius KP1006.

1991 • 155 citations

The optimization of protein‐solvent interactions: Thermostability and the role of hydrophobic and electrostatic interactions

1995 • 153 citations

Simulation of the thermal denaturation of hen egg white lysozyme: trapping the molten globule state

1992 • 145 citations

Hyperthermophile Protein Folding Thermodynamics: Differential Scanning Calorimetry and Chemical Denaturation of Sac7d

1996 • 144 citations

Plurality of pressure-denatured forms in chymotrypsinogen and lysozyme

1976 • 142 citations

Peptides in ionic solutions: A comparison of the Ewald and switching function techniques

1991 • 142 citations

Crystal structures of Escherichia coli and Salmonella typhimurium 3-isopropylmalate dehydrogenase and comparison with their thermophilic counterpart from Thermus thermophilus

1997 • 140 citations

Extremophiles

1997 • 131 citations

Direct measurement of salt-bridge solvation energies using a peptide model system: implications for protein stability.

1996 • 130 citations

Dynamics and unfolding pathways of a hyperthermophilic and a mesophilic rubredoxin

1997 • 121 citations

Molecular dynamics simulations of the unfolding of apomyoglobin in water

1993 • 118 citations

Molecular dynamics studies of solvated polypeptides: Why the cut-off scheme does not work

1992 • 118 citations

Molecular dynamics simulation of the unfolding of barnase: characterization of the major intermediate 1 1Edited by A. R. Fersht

1998 • 107 citations

Disruption of an ionic network leads to accelerated thermal denaturation of d-glyceraldehyde-3-phosphate dehydrogenase from the hyperthermophilic bacterium Thermotoga maritima

1997 • 97 citations

Computational approaches to study protein unfolding: Hen egg white lysozyme as a case study

1995 • 95 citations

Folding proteins: finding a needle in a haystack

1993 • 83 citations

Enzyme thermostability and thermoactivity

1996 • 81 citations

Equilibrium DNA Binding of Sac7d Protein from the HyperthermophileSulfolobus acidocaldarius: Fluorescence and Circular Dichroism Studies^,

1996 • 74 citations

How to make my blood boil

1995 • 73 citations

The influence of temperature on lysozyme crystals. Structure and dynamics of protein and water

1995 • 73 citations

Thermal expansion of hen egg-white lysozyme

1994 • 73 citations

The protein sequence of glutamate dehydrogenase from Sulfolobus solfataricus, a thermoacidophilic archaebacterium

1992 • 71 citations

Gene Cloning, Expression, and Characterization of the Sac7 Proteins from the Hyperthermophile Sulfolobus acidocaldarius

1995 • 71 citations

Solution Structure of the DNA-Binding Protein Sac7d from the Hyperthermophile Sulfolobus acidocaldarius

1995 • 64 citations

Hyperthermophiles: taking the heat and loving it

1995 • 58 citations

Continuum Solvation Model for Studying Protein Hydration Thermodynamics at High Temperatures

1997 • 53 citations

Thermitase, a thermostable subtilisin: Comparison of predicted and experimental structures and the molecular cause of thermostability

1989 • 51 citations

Comparison of radiation-induced decay and structure refinement from X-ray data collected from lysozyme crystals at low and ambient temperatures

1993 • 49 citations

Electrophoretic study of reversible protein denaturation. Chymotrypsinogen at high pressures

1975 • 49 citations

Dynamical properties of bovine pancreatic trypsin inhibitor from a molecular dynamics simulation at 5000 atm

1993 • 48 citations

The effect of ion pairs on the thermal stability of D-glyceraldehyde 3-phosphate dehydrogenase from the hyperthermophilic bacterium Thermotoga maritima

1994 • 41 citations

Novel histone-like DNA-binding proteins in the nucleoid from the acidothermophillic archaebacterium Sulfolobus acidocaldarius that protect DNA against thermal denaturation

1988 • 36 citations

Contribution of a Salt Bridge to the Thermostability of DNA Binding Protein HU from Bacillus stearothermophilus Determined by Site-Directed Mutagenesis

1997 • 35 citations

How do proteins acquire their three-dimensional structure and stability?

1996 • 23 citations

The extra-stability of thermophilic globular proteins: a thermodynamic approach

1995 • 5 citations