Molecular dynamics with coupling to an external bath

Herman J. C. Berendsen, Johan P. M. Postma, Wilfred F. van Gunsteren, +2

The Journal of Chemical Physics

Vibronic InteractionThermodynamic ModellingEngineeringPhysicsNatural Sciences +11

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

Wolfgang Kabsch, Christian Sander

Biopolymers

The principles of nuclear magnetism

Nuclear Physics

MagnetismNuclear PhysicsPhysicsNuclear MagnetismNatural Sciences +4

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

Giovanni Lipari, Attila Szabó

Journal of the American Chemical Society

Relaxation ProcessModel-free ApproachEngineeringMagnetic ResonanceMolecular Biology +16

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

Giovanni Lipari

Journal of the American Chemical Society

Relaxation ProcessModel-free ApproachMagnetic Resonance SpectroscopyMagnetic ResonanceMolecular Biology +5

A generalized reaction field method for molecular dynamics simulations

Ilario G. Tironi, René P. Sperb, Paul E. Smith, +1

The Journal of Chemical Physics

EngineeringComputational ChemistryChemistryMolecular DynamicsComputational Biophysics +15

<i>Proteins: A Theoretical Perspective of Dynamics, Structure and Thermodynamics</i>

Charles L. Brooks, Martin Karplus, B. Montgomery Pettitt, +1

Physics Today

Dynamical Simulation MethodsEngineeringPotential FunctionsProtein AssemblyMolecular Biology +15

Effect of constraints on the dynamics of macromolecules

Wilfred F. van Gunsteren, Martin Karplus

Macromolecules

Quantitative MethodsEngineeringDatabasesAltmetric Attention ScoreBibliometrics +15

Time-averaged nuclear overhauser effect distance restraints applied to tendamistat

Andrew E. Torda, Ruud M. Scheek, Wilfred F. van Gunsteren

Journal of Molecular Biology

MechanobiologySoft Tissue InjuryEngineeringNuclear PhysicsBiomechanics +2

Hydration of Proteins

Roger M. Brunne, Edgars Liepinsh, Gottfried Otting, +2

Journal of Molecular Biology

Protein ChemistryBiochemistryProtein FoldingProtein RefoldingProtein Purification