(Q40603907)

22 September 2017

title

Molecular dynamics of biological macromolecules: a brief history and perspective (English)

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22 September 2017

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1

Martin Karplus

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22 September 2017

publication date

1 March 2003

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22 September 2017

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22 September 2017

volume

68

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22 September 2017

issue

3

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22 September 2017

page(s)

350-358

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A mathematical model for structure-function relations in hemoglobin

22 September 2017

cites work

1 reference

11 October 2022

https://opencitations.net/index/coci/api/v1/references/10.1002/BIP.10266

Localized unfolding of collagen explains collagenase cleavage near imino-poor sites

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11 October 2022

https://opencitations.net/index/coci/api/v1/references/10.1002/BIP.10266

Normal modes for specific motions of macromolecules: application to the hinge-bending mode of lysozyme

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11 October 2022

https://opencitations.net/index/coci/api/v1/references/10.1002/BIP.10266

Weak temperature dependence of the free energy surface and folding pathways of structured peptides

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11 October 2022

https://opencitations.net/index/coci/api/v1/references/10.1002/BIP.10266

Mechanism of tertiary structural change in hemoglobin

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11 October 2022

https://opencitations.net/index/coci/api/v1/references/10.1002/BIP.10266

Transition from B to Z DNA: contribution of internal fluctuations to the configurational entropy difference

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11 October 2022

https://opencitations.net/index/coci/api/v1/references/10.1002/BIP.10266

Cell biology: Ripping up the nuclear envelope

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11 October 2022

https://opencitations.net/index/coci/api/v1/references/10.1002/BIP.10266

Correlations in the Motion of Atoms in Liquid Argon

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11 October 2022

https://opencitations.net/index/coci/api/v1/references/10.1002/BIP.10266

Dynamic coupling between the SH2 and SH3 domains of c-Src and Hck underlies their inactivation by C-terminal tyrosine phosphorylation

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11 October 2022

https://opencitations.net/index/coci/api/v1/references/10.1002/BIP.10266

Molecular basis of visual excitation

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11 October 2022

https://opencitations.net/index/coci/api/v1/references/10.1002/BIP.10266

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

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11 October 2022

https://opencitations.net/index/coci/api/v1/references/10.1002/BIP.10266

Free energy simulations come of age: protein-ligand recognition

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11 October 2022

https://opencitations.net/index/coci/api/v1/references/10.1002/BIP.10266

Implications of Torsional Potential of Retinal Isomers for Visual Excitation

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11 October 2022

https://opencitations.net/index/coci/api/v1/references/10.1002/BIP.10266

Studies in Molecular Dynamics. I. General Method

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11 October 2022

https://opencitations.net/index/coci/api/v1/references/10.1002/BIP.10266

Identification of in vivo substrates of the chaperonin GroEL

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11 October 2022

https://opencitations.net/index/coci/api/v1/references/10.1002/BIP.10266

Stabilization of poliovirus by capsid-binding antiviral drugs is due to entropic effects.

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11 October 2022

https://opencitations.net/index/coci/api/v1/references/10.1002/BIP.10266

Dynamics of folded proteins

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11 October 2022

https://opencitations.net/index/coci/api/v1/references/10.1002/BIP.10266

Molecular dynamics simulations of the protein unfolding/folding reaction

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11 October 2022

https://opencitations.net/index/coci/api/v1/references/10.1002/BIP.10266

ON THE NATURE OF ALLOSTERIC TRANSITIONS: A PLAUSIBLE MODEL

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11 October 2022

https://opencitations.net/index/coci/api/v1/references/10.1002/BIP.10266

Molecular dynamics simulations of biomolecules

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11 October 2022

https://opencitations.net/index/coci/api/v1/references/10.1002/BIP.10266

Microscopic origins of entropy, heat capacity and the glass transition in proteins

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11 October 2022

https://opencitations.net/index/coci/api/v1/references/10.1002/BIP.10266

Direct Observation of the Transition State

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11 October 2022

https://opencitations.net/index/coci/api/v1/references/10.1002/BIP.10266

ATP-bound states of GroEL captured by cryo-electron microscopy

1 reference

11 October 2022

https://opencitations.net/index/coci/api/v1/references/10.1002/BIP.10266

Molecular Pathology of Human Haemoglobin: Stereochemical Interpretation of Abnormal Oxygen Affinities

1 reference

11 October 2022

https://opencitations.net/index/coci/api/v1/references/10.1002/BIP.10266

Correlation between changes in nuclear magnetic resonance order parameters and conformational entropy: molecular dynamics simulations of native and denatured staphylococcal nuclease.

1 reference

11 October 2022

https://opencitations.net/index/coci/api/v1/references/10.1002/BIP.10266

Configurational entropy of native proteins

1 reference

11 October 2022

https://opencitations.net/index/coci/api/v1/references/10.1002/BIP.10266

Molecular and stochastic dynamics of proteins

1 reference

11 October 2022

https://opencitations.net/index/coci/api/v1/references/10.1002/BIP.10266

Active site dynamics of ribonuclease

1 reference

11 October 2022

https://opencitations.net/index/coci/api/v1/references/10.1002/BIP.10266

Quantum-mechanical dynamics and quasiclassical trajectories for comparison to stimulated Raman pumping measurements of the high-energy state-to-state reaction dynamics of D+H2(ν=j=1)→HD(ν′=1,j′)+H

1 reference

11 October 2022

https://opencitations.net/index/coci/api/v1/references/10.1002/BIP.10266

Phenylalanine transfer RNA: molecular dynamics simulation

1 reference

11 October 2022

https://opencitations.net/index/coci/api/v1/references/10.1002/BIP.10266

Dynamical transition of myoglobin revealed by inelastic neutron scattering

1 reference

11 October 2022

https://opencitations.net/index/coci/api/v1/references/10.1002/BIP.10266

Trypsinogen-trypsin transition: a molecular dynamics study of induced conformational change in the activation domain

1 reference

11 October 2022

https://opencitations.net/index/coci/api/v1/references/10.1002/BIP.10266

The crystal structure of the asymmetric GroEL-GroES-(ADP)7 chaperonin complex

1 reference

11 October 2022

https://opencitations.net/index/coci/api/v1/references/10.1002/BIP.10266

Principles that govern the folding of protein chains

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11 October 2022

https://opencitations.net/index/coci/api/v1/references/10.1002/BIP.10266

Pathways to a protein folding intermediate observed in a 1-microsecond simulation in aqueous solution

1 reference

11 October 2022

https://opencitations.net/index/coci/api/v1/references/10.1002/BIP.10266

Theoretical studies of chemical dynamics: overview of some fundamental mechanisms

1 reference

11 October 2022

https://opencitations.net/index/coci/api/v1/references/10.1002/BIP.10266

Internal and Overall Peptide Group Motion in Proteins: Molecular Dynamics Simulations for Lysozyme Compared with Results from X-ray and NMR Spectroscopy

1 reference

11 October 2022

https://opencitations.net/index/coci/api/v1/references/10.1002/BIP.10266

Rigid protein motion as a model for crystallographic temperature factors

1 reference

11 October 2022

https://opencitations.net/index/coci/api/v1/references/10.1002/BIP.10266

A novel basis of capsid stabilization by antiviral compounds.

1 reference

11 October 2022

https://opencitations.net/index/coci/api/v1/references/10.1002/BIP.10266

Hidden thermodynamics of mutant proteins: a molecular dynamics analysis

1 reference

11 October 2022

https://opencitations.net/index/coci/api/v1/references/10.1002/BIP.10266

Refinement of protein conformations using a macromolecular energy minimization procedure

1 reference

11 October 2022

https://opencitations.net/index/coci/api/v1/references/10.1002/BIP.10266

Consistent Force Field for Calculations of Conformations, Vibrational Spectra, and Enthalpies of Cycloalkane and n‐Alkane Molecules

1 reference

11 October 2022

https://opencitations.net/index/coci/api/v1/references/10.1002/BIP.10266

Dynamic activation of protein function: a view emerging from NMR spectroscopy.

1 reference

11 October 2022

https://opencitations.net/index/coci/api/v1/references/10.1002/BIP.10266

Dynamics of ligand binding to heme proteins

1 reference

11 October 2022

https://opencitations.net/index/coci/api/v1/references/10.1002/BIP.10266

Protein-folding dynamics

1 reference

11 October 2022

https://opencitations.net/index/coci/api/v1/references/10.1002/BIP.10266

A dynamic analysis of the rotation mechanism for conformational change in F(1)-ATPase

1 reference

11 October 2022

https://opencitations.net/index/coci/api/v1/references/10.1002/BIP.10266

Binding of buried structural water increases the flexibility of proteins

1 reference

11 October 2022

https://opencitations.net/index/coci/api/v1/references/10.1002/BIP.10266

Harmonic dynamics of proteins: normal modes and fluctuations in bovine pancreatic trypsin inhibitor

1 reference

11 October 2022

https://opencitations.net/index/coci/api/v1/references/10.1002/BIP.10266

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

1 reference

11 October 2022

https://opencitations.net/index/coci/api/v1/references/10.1002/BIP.10266

Three-dimensional structure of proteins determined by molecular dynamics with interproton distance restraints: application to crambin

1 reference

11 October 2022

https://opencitations.net/index/coci/api/v1/references/10.1002/BIP.10266

Protein folding dynamics: the diffusion-collision model and experimental data

1 reference

11 October 2022

https://opencitations.net/index/coci/api/v1/references/10.1002/BIP.10266

Control of the selectivity of the aquaporin water channel family by global orientational tuning

1 reference

11 October 2022

https://opencitations.net/index/coci/api/v1/references/10.1002/BIP.10266

Thermal expansion of a protein

1 reference

11 October 2022

https://opencitations.net/index/coci/api/v1/references/10.1002/BIP.10266

Internal motion of proteins: nuclear magnetic resonance measurements and dynamic simulations

1 reference

11 October 2022

https://opencitations.net/index/coci/api/v1/references/10.1002/BIP.10266

Theoretical and computational advances in biomolecular NMR spectroscopy

1 reference

11 October 2022

https://opencitations.net/index/coci/api/v1/references/10.1002/BIP.10266

Hydrogen Exchange in Proteins

1 reference

11 October 2022

https://opencitations.net/index/coci/api/v1/references/10.1002/BIP.10266

Structure refinement of oligonucleotides by molecular dynamics with nuclear Overhauser effect interproton distance restraints: application to 5' d(C-G-T-A-C-G)2.

1 reference

11 October 2022

https://opencitations.net/index/coci/api/v1/references/10.1002/BIP.10266

Principles of protein folding in the cellular environment

1 reference

11 October 2022

https://opencitations.net/index/coci/api/v1/references/10.1002/BIP.10266

Crystallographic R factor refinement by molecular dynamics

1 reference

11 October 2022

https://opencitations.net/index/coci/api/v1/references/10.1002/BIP.10266

Crystallographic refinement of the structure of bovine pancreatic trypsin inhibitor at l.5 Å resolution

1 reference

11 October 2022

https://opencitations.net/index/coci/api/v1/references/10.1002/BIP.10266

Fluorescence depolarization of tryptophan residues in proteins: a molecular dynamics study

1 reference

11 October 2022

https://opencitations.net/index/coci/api/v1/references/10.1002/BIP.10266

Climatic impact of tropical lowland deforestation on nearby montane cloud forests

1 reference

11 October 2022

https://opencitations.net/index/coci/api/v1/references/10.1002/BIP.10266

Crystallographic studies of the dynamic properties of lysozyme

1 reference

11 October 2022

https://opencitations.net/index/coci/api/v1/references/10.1002/BIP.10266

Protein reaction kinetics in a room-temperature glass

1 reference

11 October 2022

https://opencitations.net/index/coci/api/v1/references/10.1002/BIP.10266

Solvent mobility and the protein 'glass' transition

1 reference

11 October 2022

https://opencitations.net/index/coci/api/v1/references/10.1002/BIP.10266

Binding of CO to myoglobin from a heme pocket docking site to form nearly linear Fe-C-O

1 reference

11 October 2022

https://opencitations.net/index/coci/api/v1/references/10.1002/BIP.10266

A dynamic model for the allosteric mechanism of GroEL

1 reference

11 October 2022

https://opencitations.net/index/coci/api/v1/references/10.1002/BIP.10266

Identifiers

DOI

10.1002/BIP.10266

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22 September 2017

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