(Q37163952)

18 August 2017

The multiscale coarse-graining method. I. A rigorous bridge between atomistic and coarse-grained models (English)

1 reference

18 August 2017

4

Vinod Krishna

1 reference

18 August 2017

6

Gregory A Voth

1 reference

18 August 2017

8

Hans C Andersen

1 reference

18 August 2017

W G Noid

1

1 reference

18 August 2017

Jhih-Wei Chu

2

1 reference

18 August 2017

Gary S Ayton

3

1 reference

18 August 2017

Sergei Izvekov

5

1 reference

18 August 2017

Avisek Das

7

1 reference

18 August 2017

language of work or name

English

0 references

publication date

1 June 2008

1 reference

Journal of Chemical Physics

18 August 2017

1 reference

18 August 2017

128

1 reference

18 August 2017

24

1 reference

18 August 2017

244114

1 reference

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

18 August 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2671183

The multiscale coarse-graining method. II. Numerical implementation for coarse-grained molecular models

6 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2671183

COMPUTING: Screen Savers of the World Unite!

6 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2671183

The MARTINI force field: coarse grained model for biomolecular simulations

6 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2671183

Coarse-grained peptide modeling using a systematic multiscale approach

6 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2671183

Multiscale coarse-graining and structural correlations: connections to liquid-state theory

6 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2671183

Multiscale modeling of biomolecular systems: in serial and in parallel

6 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2671183

Direct observation of Bin/amphiphysin/Rvs (BAR) domain-induced membrane curvature by means of molecular dynamics simulations

6 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2671183

Classical statistical mechanics of constraints: a theorem and application to polymers

6 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2671183

Molecular dynamics simulations of the complete satellite tobacco mosaic virus

6 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2671183

Simulating movement of tRNA into the ribosome during decoding

6 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2671183

Scalable molecular dynamics with NAMD

6 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2671183

Implicit solvent simulation models for biomembranes

6 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2671183

Allostery of actin filaments: molecular dynamics simulations and coarse-grained analysis

6 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2671183

Coarse-grained models for proteins

6 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2671183

Transmembrane peptide-induced lipid sorting and mechanism of Lalpha-to-inverted phase transition using coarse-grain molecular dynamics.

6 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2671183

Development and testing of a general amber force field

6 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2671183

Theory of protein folding

6 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2671183

Orientational potentials extracted from protein structures improve native fold recognition

6 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2671183

BAR domains as sensors of membrane curvature: the amphiphysin BAR structure

6 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2671183

Assembly of Cell Regulatory Systems Through Protein Interaction Domains

6 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2671183

Absolute comparison of simulated and experimental protein-folding dynamics

6 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2671183

Molecular dynamics simulations of biomolecules

6 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2671183

Modeling the lipid component of membranes

6 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2671183

Lipid rafts and signal transduction

6 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2671183

A simplified representation of protein conformations for rapid simulation of protein folding

6 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2671183

Smart resolution replica exchange: an efficient algorithm for exploring complex energy landscapes.

6 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2671183

Modeling real dynamics in the coarse-grained representation of condensed phase systems.

3 September 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2671183

Multiscale coarse-graining of ionic liquids.

3 September 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2671183

Effective force fields for condensed phase systems from ab initio molecular dynamics simulation: a new method for force-matching.

3 September 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2671183

Assembly and analysis of conical models for the HIV-1 core.

3 September 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2671183

Protein folding simulation with solvent-induced force field: folding pathway ensemble of three-helix-bundle proteins

3 September 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2671183

GROMACS 3.0: a package for molecular simulation and trajectory analysis

20 October 2018

1 reference

Multiscale coarse graining of liquid-state systems

21 January 2018

1 reference

Coarse-graining in polymer simulation: from the atomistic to the mesoscopic scale and back

21 January 2018

1 reference

Equation-free: The computer-aided analysis of complex multiscale systems

21 January 2018

1 reference

Parametrization of Backbone−Electrostatic and Multibody Contributions to the UNRES Force Field for Protein-Structure Prediction from Ab Initio Energy Surfaces of Model Systems†

21 January 2018

1 reference

Advanced computing. NSF launches teragrid for academic research

21 January 2018

1 reference

12 December 2020

Multiscale modeling of lipids and lipid bilayers

1 reference

12 December 2020

A multiscale coarse-graining method for biomolecular systems

1 reference

12 December 2020

Systematic coarse-graining of nanoparticle interactions in molecular dynamics simulation

1 reference

12 December 2020

Mixed atomistic and coarse-grained molecular dynamics: simulation of a membrane-bound ion channel

1 reference

12 December 2020

Are many-body electronic polarization effects important in liquid water?

1 reference

12 December 2020

A macromolecule in a solvent: adaptive resolution molecular dynamics simulation

1 reference

12 December 2020

Multiscale Coarse-Graining of Mixed Phospholipid/Cholesterol Bilayers

1 reference

12 December 2020

Calculation of effective interaction potentials from radial distribution functions: A reverse Monte Carlo approach

1 reference

12 December 2020

Identifiers

DOI

10.1063/1.2938860

1 reference

18 August 2017

1 reference

18 August 2017

1 reference