(Q34620053)

3 August 2017

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title

High pressure simulations of biomolecules (English)

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3 August 2017

1

Emanuele Paci

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3 August 2017

language of work or name

English

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publication date

1 March 2002

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Biochimica et Biophysica Acta

3 August 2017

published in

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3 August 2017

volume

1595

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3 August 2017

issue

1-2

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3 August 2017

page(s)

185-200

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Proteins under pressure. The influence of high hydrostatic pressure on structure, function and assembly of proteins and protein complexes

3 August 2017

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Evidence for a molten globule-like transition state in protein folding from determination of activation volumes

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Structural characterization of the pressure-denatured state and unfolding/refolding kinetics of staphylococcal nuclease by synchrotron small-angle X-ray scattering and Fourier-transform infrared spectroscopy 1 1Edited by P. E. Wright

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

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A model of the molten globule state from molecular dynamics simulations

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

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Acid and thermal denaturation of barnase investigated by molecular dynamics simulations

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7 January 2021

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

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7 January 2021

Modelling protein unfolding: hen egg-white lysozyme

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7 January 2021

Exploration of partially unfolded states of human alpha-lactalbumin by molecular dynamics simulation

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7 January 2021

Spectroscopic and volumetric investigation of cytochrome c unfolding at alkaline pH: characterization of the base-induced unfolded state at 25 degrees C

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7 January 2021

Temperature dependence of the hydrophobic interaction in protein folding

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7 January 2021

Thermodynamics of unfolding

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7 January 2021

The pressure dependence of hydrophobic interactions is consistent with the observed pressure denaturation of proteins.

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7 January 2021

Pressure-induced protein-folding/unfolding kinetics

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7 January 2021

Exploring the temperature-pressure phase diagram of staphylococcal nuclease.

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7 January 2021

Molecular dynamics simulations at constant pressure and/or temperature

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7 January 2021

A molecular dynamics method for simulations in the canonical ensemble

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7 January 2021

Canonical dynamics: Equilibrium phase-space distributions

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7 January 2021

Molecular dynamics with coupling to an external bath

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7 January 2021

Molecular dynamics simulation of rigid molecules

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7 January 2021

Molecular-dynamics method for simulating heterogeneous condensed matter at constant pressure

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7 January 2021

Towards molecular dynamics simulation of large proteins with a hydration shell at constant pressure.

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7 January 2021

A Second Generation Force Field for the Simulation of Proteins, Nucleic Acids, and Organic Molecules

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7 January 2021

All-atom empirical potential for molecular modeling and dynamics studies of proteins

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7 January 2021

Pressure-induced changes in the folded structure of lysozyme

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7 January 2021

Effect of pressure on the tertiary structure and dynamics of folded basic pancreatic trypsin inhibitor

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7 January 2021

The missing term in effective pair potentials

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7 January 2021

Molecular dynamics simulation of solvated protein at high pressure

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7 January 2021

An all atom force field for simulations of proteins and nucleic acids

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7 January 2021

Investigation of protein unfolding and stability by computer simulation

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7 January 2021

Molecular mechanisms of pressure induced conformational changes in BPTI

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7 January 2021

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

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7 January 2021

Pressure-tuning the conformation of bovine pancreatic trypsin inhibitor studied by Fourier-transform infrared spectroscopy

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7 January 2021

Intrinsic compressibility and volume compression in solvated proteins by molecular dynamics simulation at high pressure

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7 January 2021

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

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7 January 2021

Simulation of activation free energies in molecular systems

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7 January 2021

Effects of pressure on the structure of metmyoglobin: molecular dynamics predictions for pressure unfolding through a molten globule intermediate.

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7 January 2021

Effect of pressure on individual hydrogen bonds in proteins. Basic pancreatic trypsin inhibitor

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7 January 2021

Adiabatic compressibility of globular proteins

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7 January 2021

Compressibility-structure relationship of globular proteins.

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7 January 2021

Hydrational and intrinsic compressibilities of globular proteins.

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7 January 2021

Thermodynamic analysis of biomolecules: a volumetric approach

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7 January 2021

The interpretation of protein structures: Total volume, group volume distributions and packing density

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7 January 2021

Volume occupation, environment and accessibility in proteins. The problem of the protein surface

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7 January 2021

Areas, volumes, packing and protein structure

1 reference

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7 January 2021

Solvent accessible surface area and excluded volume in proteins. Analytical equations for overlapping spheres and implications for the hydrophobic effect.

1 reference

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7 January 2021

Thermal expansion of a protein

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7 January 2021

Heme protein fluorescence versus pressure

1 reference

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7 January 2021

Thermodynamic fluctuations in protein molecules

1 reference

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7 January 2021

Properties of the protein matrix revealed by the free energy of cavity formation

1 reference

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7 January 2021

Conformational deformation in deoxymyoglobin by hydrostatic pressure

1 reference

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7 January 2021

Molecular dynamics simulation shows large volume fluctuations of proteins

1 reference

https://api.crossref.org/works/10.1016%2FS0167-4838%2801%2900343-0

7 January 2021

Adiabatic compressibility of molten globules.

1 reference

https://api.crossref.org/works/10.1016%2FS0167-4838%2801%2900343-0

7 January 2021

Volumetric Characterizations of the Native, Molten Globule and Unfolded States of Cytochromecat Acidic pH

1 reference

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7 January 2021

Compactness of thermally and chemically denatured ribonuclease A as revealed by volume and compressibility

1 reference

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7 January 2021

Molten globule of human alpha-lactalbumin: hydration, density, and compressibility of the interior

1 reference

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7 January 2021

Theory of cooperative transitions in protein molecules. II. Phase diagram for a protein molecule in solution

1 reference

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7 January 2021

Refolding of potato carboxypeptidase inhibitor by molecular dynamics simulations with disulfide bond constraints a aEdited by A. R. Fersht

1 reference

https://api.crossref.org/works/10.1016%2FS0167-4838%2801%2900343-0

7 January 2021

The molten globule state of alpha-lactalbumin.

1 reference

https://api.crossref.org/works/10.1016%2FS0167-4838%2801%2900343-0

7 January 2021

Structural invariants in protein folding

1 reference

https://api.crossref.org/works/10.1016%2FS0167-4838%2801%2900343-0

7 January 2021

Volume changes on protein folding.

1 reference

https://api.crossref.org/works/10.1016%2FS0167-4838%2801%2900343-0

7 January 2021

High-pressure NMR spectroscopy of proteins and membranes

1 reference

https://api.crossref.org/works/10.1016%2FS0167-4838%2801%2900343-0

7 January 2021

Volumetric properties of nucleic acids

1 reference

https://api.crossref.org/works/10.1016%2FS0167-4838%2801%2900343-0

7 January 2021

Three key residues form a critical contact network in a protein folding transition state

1 reference

https://api.crossref.org/works/10.1016%2FS0167-4838%2801%2900343-0

7 January 2021

Implicit solvent models

1 reference

https://api.crossref.org/works/10.1016%2FS0167-4838%2801%2900343-0

7 January 2021

10.1016/S0167-4838(01)00343-0

Identifiers

DOI

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3 August 2017

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