(Q42178346)

English

Comparison between empirical protein force fields for the simulation of the adsorption behavior of structured LK peptides on functionalized surfaces

scientific article published on March 2012

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scholarly article

1 reference

Europe PubMed Central

PMC publication ID

18 October 2017

Comparison between empirical protein force fields for the simulation of the adsorption behavior of structured LK peptides on functionalized surfaces (English)

1 reference

Europe PubMed Central

PMC publication ID

18 October 2017

Jeremy A. Yancey

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Jeremy A Yancey

3

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author name string

Galen Collier

1

1 reference

Europe PubMed Central

PMC publication ID

18 October 2017

Nadeem A Vellore

2

1 reference

Europe PubMed Central

PMC publication ID

18 October 2017

Steven J Stuart

4

1 reference

Europe PubMed Central

PMC publication ID

18 October 2017

Robert A Latour

5

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Europe PubMed Central

PMC publication ID

18 October 2017

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1 March 2012

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Europe PubMed Central

PMC publication ID

18 October 2017

1 reference

Europe PubMed Central

PMC publication ID

18 October 2017

7

1 reference

Europe PubMed Central

PMC publication ID

18 October 2017

1-4

1 reference

Europe PubMed Central

PMC publication ID

18 October 2017

24

1 reference

Europe PubMed Central

PMC publication ID

18 October 2017

https://scigraph.springernature.com/pub.10.1007/s13758-012-0024-z

0 references

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

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4243546

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Sum frequency generation and solid-state NMR study of the structure, orientation, and dynamics of polystyrene-adsorbed peptides

1 reference

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Assembly and structure of alpha-helical peptide films on hydrophobic fluorocarbon surfaces.

1 reference

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26 October 2017

Probing the orientation and conformation of alpha-helix and beta-strand model peptides on self-assembled monolayers using sum frequency generation and NEXAFS spectroscopy.

1 reference

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26 October 2017

XPS and ToF-SIMS investigation of alpha-helical and beta-strand peptide adsorption onto SAMs

1 reference

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A solid-state deuterium NMR and sum-frequency generation study of the side-chain dynamics of peptides adsorbed onto surfaces.

1 reference

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Determination of the surface pK of carboxylic- and amine-terminated alkanethiols using surface plasmon resonance spectroscopy

1 reference

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Secondary structure provides a template for the folding of nearby polypeptides

1 reference

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Equilibrium structure and folding of a helix-forming peptide: circular dichroism measurements and replica-exchange molecular dynamics simulations

1 reference

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Conformational sampling and dynamics of membrane proteins from 10-nanosecond computer simulations.

1 reference

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A biomolecular force field based on the free enthalpy of hydration and solvation: the GROMOS force-field parameter sets 53A5 and 53A6

1 reference

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UCSF Chimera--a visualization system for exploratory research and analysis

1 reference

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Extending the treatment of backbone energetics in protein force fields: limitations of gas-phase quantum mechanics in reproducing protein conformational distributions in molecular dynamics simulations

1 reference

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26 October 2017

MMTSB Tool Set: enhanced sampling and multiscale modeling methods for applications in structural biology.

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4243546

26 October 2017

Molecular dynamics simulations of a hydrated protein vectorially oriented on polar and nonpolar soft surfaces

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4243546

26 October 2017

All-Atom Structure Prediction and Folding Simulations of a Stable Protein

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4243546

26 October 2017

Theoretical analysis of adsorption thermodynamics for hydrophobic peptide residues on SAM surfaces of varying functionality.

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4243546

26 October 2017

Molecular dynamics simulations of a protein on hydrophobic and hydrophilic surfaces

1 reference

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Knowledge-based protein secondary structure assignment

1 reference

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VMD: visual molecular dynamics

1 reference

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26 October 2017

Molecular dynamics simulations of peptide-surface interactions

1 reference

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29 May 2018

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1 reference

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17 August 2018

Development of molecular simulation methods to accurately represent protein-surface interactions: Method assessment for the calculation of electrostatic effects.

1 reference

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17 August 2018

How hot? Systematic convergence of the replica exchange method using multiple reservoirs.

1 reference

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All-atom replica exchange molecular simulation of protein BBL.

1 reference

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17 August 2018

Convergence of replica exchange molecular dynamics.

1 reference

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1 reference

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Theoretical analysis of adsorption thermodynamics for charged peptide residues on SAM surfaces of varying functionality

1 reference

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A theoretical analysis of the thermodynamic contributions for the adsorption of individual protein residues on functionalized surfaces

1 reference

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17 August 2018

Convergence of molecular dynamics simulations of membrane proteins

1 reference

https://pubmed.ncbi.nlm.nih.gov/22589067

12 December 2020

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Identifiers

10.1007/S13758-012-0024-Z

1 reference

Europe PubMed Central

PMC publication ID

18 October 2017

PMC publication ID

1 reference

Europe PubMed Central

PMC publication ID

18 October 2017

PubMed publication ID

1 reference

Europe PubMed Central

PMC publication ID

18 October 2017

ResearchGate publication ID

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