Structure and Dynamics of Calmodulin in Solution

VMD: Visual molecular dynamics

1996 • 54,630 citations

Comparison of simple potential functions for simulating liquid water

1983 • 37,746 citations

Intermolecular and Surface Forces

2011 • 17,408 citations

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

1983 • 14,615 citations

Intermolecular and Surface Forces

2011 • 7,781 citations

Protein folding and association: Insights from the interfacial and thermodynamic properties of hydrocarbons

1991 • 5,267 citations

Water: A Comprehensive Treatise

1979 • 4,040 citations

Model-free approach to the interpretation of nuclear magnetic resonance relaxation in macromolecules. 1. Theory and range of validity

1982 • 3,662 citations

X-PLOR Version 3.1: A System for X-ray Crystallography and NMR

1992 • 3,488 citations

Stereochemistry of polypeptide chain configurations

1963 • 3,351 citations

The structure and properties of water

1970 • 2,973 citations

A solution for the best rotation to relate two sets of vectors

1976 • 2,909 citations

Classical Electrostatics in Biology and Chemistry

1995 • 2,801 citations

Model-free approach to the interpretation of nuclear magnetic resonance relaxation in macromolecules

1982 • 2,524 citations

The Structure and Properties of Water

1969 • 1,899 citations

Dynamics of Proteins and Nucleic Acids

1988 • 1,274 citations

Solution structure of a calmodulin-target peptide complex by multidimensional NMR

1992 • 1,258 citations

Quantum and statistical mechanical studies of liquids. 10. Transferable intermolecular potential functions for water, alcohols, and ethers. Application to liquid water

1981 • 1,210 citations

Target Enzyme Recognition by Calmodulin: 2.4 Å Structure of a Calmodulin-Peptide Complex

1992 • 1,031 citations

Structure of calmodulin refined at 2.2 Å resolution

1988 • 1,019 citations

Structure And Evolution Of Calcium-Modulated Protein

1980 • 942 citations

Backbone dynamics of calmodulin studied by nitrogen-15 relaxation using inverse detected two-dimensional NMR spectroscopy: the central helix is flexible

1992 • 880 citations

Structural Mechanisms for Domain Movements in Proteins

1994 • 741 citations

Calmodulin structure refined at 1.7 Å resolution

1992 • 709 citations

Calcium-induced conformational transition revealed by the solution structure of apo calmodulin

1995 • 672 citations

Solution structure of calcium-free calmodulin

1995 • 648 citations

Statistical Mechanics

1975 • 575 citations

Accurate simulation of protein dynamics in solution.

1988 • 442 citations

Solvent effects on protein motion and protein effects on solvent motion

1989 • 409 citations

Solvation. A molecular dynamics study of a dipeptide in water

1979 • 406 citations

Principal Component Analysis and Long Time Protein Dynamics

1996 • 398 citations

Search for a realistic view of hydrophobic effects

1990 • 378 citations

Calmodulin-binding domains: just two faced or multi-faceted?

1995 • 368 citations

Hydrophobic regions function in calmodulin-enzyme(s) interactions.

1980 • 363 citations

Comparison of the crystal and solution structures of calmodulin and troponin C

1988 • 322 citations

Calcium-induced structural changes and domain autonomy in calmodulin

1995 • 267 citations

Protein Hydration and Behavior

1958 • 261 citations

Deduced primary structure of the beta subunit of brain type II Ca2+/calmodulin-dependent protein kinase determined by molecular cloning.

1987 • 253 citations

Protein hydration elucidated by molecular dynamics simulation.

1993 • 239 citations

Protein domain movements: detection of rigid domains and visualization of hinges in comparisons of atomic coordinates

1997 • 239 citations

Water-Protein Interactions: Theory and Experiment

1991 • 239 citations

Molecular Dynamics Study of the Structure and Dynamics of the Hydration Shell of Alkaline and Alkaline-Earth Metal Cations

1996 • 230 citations

15. The structure of molecular compounds. Part IV. Clathrate compounds

1948 • 229 citations

Distributions of water around amino acid residues in proteins

1988 • 216 citations

The Structure of an Open State of β-Actin at 2.65 Å Resolution

1996 • 211 citations

Agonist and antagonist properties of calmodulin fragments.

1984 • 198 citations

A 500 ps molecular dynamics simulation study of interleukin-1β in water

1992 • 173 citations

A global model of the protein-solvent interface

1994 • 154 citations

Melittin binding causes a large calcium-dependent conformational change in calmodulin.

1989 • 141 citations

Calcium-induced increase in the radius of gyration and maximum dimension of calmodulin measured by small-angle x-ray scattering

1985 • 135 citations

Realistic Simulations of Native-Protein Dynamics in Solution and Beyond

1993 • 132 citations

Water in channel-like cavities: structure and dynamics

1996 • 132 citations

Ca²⁺-Binding and Structural Dynamics in the Functions of Calmodulin

1994 • 118 citations

Rigid protein motion as a model for crystallographic temperature factors.

1991 • 114 citations

Molecular dynamics simulations of water within models of ion channels

1996 • 95 citations

Molecular dynamics of proteins with the OPLS potential functions. Simulation of the third domain of silver pheasant ovomucoid in water

1990 • 93 citations

Boundary Conditions in Simulations of Aqueous Ionic Solutions: A Systematic Study

1995 • 90 citations

Activation of myosin light chain kinase and nitric oxide synthase activities by calmodulin fragments.

1994 • 87 citations

Evidence for domain organization within the 61-kDa calmodulin-dependent cyclic nucleotide phosphodiesterase from bovine brain

1991 • 85 citations

Two trifluoperazine‐binding sites on calmodulin predicted from comparative molecular modeling with troponin‐C

1988 • 84 citations

Is there a region of highly structured water around a nonpolar solute molecule?

1988 • 83 citations

Dynamics of proteins and nucleic acids

1988 • 76 citations

Binding of Both Ca2+ and Mastoparan to Calmodulin Induces a Large Change in the Tertiary Structure

1989 • 75 citations

Bending of the calmodulin central helix: A theoretical study

1996 • 74 citations

Nuclear Magnetic Relaxation Spectroscopy

1973 • 71 citations

The Low Dielectric Interior of Proteins is Sufficient To Cause Major Structural Changes in DNA on Association

1996 • 67 citations

Computer Simulation and the Design of New Biological Molecules

1986 • 57 citations

Selective effects of CAPP1-calmodulin on its target proteins

1985 • 56 citations

Testing the Modified Hydration-Shell Hydrogen-Bond Model of Hydrophobic Effects Using Molecular Dynamics Simulation

1996 • 56 citations

A comparison of ¹⁵N NMR relaxation measurements with a molecular dynamics simulation: Backbone dynamics of the glucocorticoid receptor DNA‐binding domain

1993 • 54 citations

Molecular dynamics simulations of the glucocorticoid receptor DNA-binding domain in complex with DNA and free in solution

1995 • 51 citations

Structural dynamics of calmodulin and troponin C

1991 • 43 citations

Conformational flexibility of aqueous monomeric and dimeric insulin: a molecular dynamics study

1991 • 41 citations

Effects of long-range interactions on the dynamics of ions in aqueous solution

1994 • 40 citations

Molecular Aspects of Biotechnology: Computational Models and Theories

1992 • 31 citations

Binding of amphiphilic peptides to a carboxy-terminal tryptic fragment of calmodulin

1988 • 27 citations

Glass transition in SPC/E water and in a protein solution: A molecular dynamics simulation study

1989 • 27 citations

Structural and energetic parameters of Ca²⁺ binding to peptides and proteins

1988 • 23 citations

Calmodulin structure and function: Implication of arginine in the compaction related to ligand binding

1991 • 19 citations

The interaction of calmodulin with regulatory peptides of phosphorylase kinase.

1994 • 18 citations

High-pressure molecular dynamics of a nucleic acid fragment

1994 • 15 citations

On the Structure and Dynamic Properties of Aqueous Solutions: Molecular Dynamics Simulation of Cl⁻and Cl^2-in Water

1996 • 15 citations

Solvation: A Molecular Dynamics Study of a Dipeptide in Water

1980 • 13 citations

Diffusion in electrolytes

1965 • 12 citations

Diffusion in electrolytes

1984 • 4 citations

Structural Specificity in the Engineering of Biological Function: Insights from the Dynamics of Calmodulin

1992 • 3 citations