(Q58023003)

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

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scholarly article

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

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NMR spectroscopy

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object named as

Matthias Buck

1

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2

object named as

Martin Karplus

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language of work or name

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publication date

October 1999

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Journal of the American Chemical Society

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121

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9645-9658

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41

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Peptide bonds revisited.

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Determination of the backbone mobility of ribonuclease T1 and its 2'GMP complex using molecular dynamics simulations and NMR relaxation data.

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Crystal structure of hen egg-white lysozyme at a hydrostatic pressure of 1000 atmospheres

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Theory and practice of nuclear spin relaxation in proteins

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Molecular dynamics simulation of E. coli ribonuclease H1 in solution: correlation with NMR and X-ray data and insights into biological function.

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Why do protein architectures have Boltzmann-like statistics?

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Non-proline cis peptide bonds in proteins.

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Direct measurement of angles between bond vectors in high-resolution NMR.

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Picosecond dynamics of tyrosine side chains in proteins

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Study of protein dynamics by X-ray diffraction

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The effects of truncating long-range forces on protein dynamics.

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CHARMM: A program for macromolecular energy, minimization, and dynamics calculations

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Reactions of Oxide Radical Ion (·O-) with Pyrimidine and Purine Derivatives

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Comparison of simple potential functions for simulating liquid water

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Dynamics of folded proteins

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Time dependence of atomic fluctuations in proteins: analysis of local and collective motions in bovine pancreatic trypsin inhibitor.

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Reversible multiple time scale molecular dynamics

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Fluctuations in Protein Structure from X-Ray Diffraction

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

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Canonical dynamics: Equilibrium phase-space distributions

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Self-consistent estimation of inter-residue protein contact energies based on an equilibrium mixture approximation of residues

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Deviations from planarity of the peptide bond in peptides and proteins

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Protein dynamics in solution and in a crystalline environment: a molecular dynamics study

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Experimentally observed conformation-dependent geometry and hidden strain in proteins

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A unified formulation of the constant temperature molecular dynamics methods

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11 October 2022

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

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Polar hydrogen positions in proteins: Empirical energy placement and neutron diffraction comparison

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10.1021/JA991309P

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