(Q42915927)

11 November 2017

Multiscale simulations of protein landscapes: using coarse-grained models as reference potentials to full explicit models (English)

1 reference

11 November 2017

2

1 reference

Alexandra Vardi-Kilshtain

11 November 2017

series ordinal

5

object named as

Alexandra Vardi Kilshtain

1 reference

11 November 2017

6

Arieh Warshel

1 reference

11 November 2017

Benjamin M Messer

1

1 reference

11 November 2017

Zhen T Chu

series ordinal

3

1 reference

11 November 2017

Spyridon Vicatos

series ordinal

4

1 reference

11 November 2017

language of work or name

English

0 references

publication date

1 April 2010

1 reference

11 November 2017

1 reference

11 November 2017

78

1 reference

11 November 2017

5

1 reference

11 November 2017

1212-1227

1 reference

Effective approach for calculations of absolute stability of proteins using focused dielectric constants

11 November 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2822134

Enzyme millisecond conformational dynamics do not catalyze the chemical step

27 May 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2822134

Simulating the electrostatic guidance of the vectorial translocations in hexameric helicases and translocases

27 May 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2822134

Toward accurate screening in computer-aided enzyme design

27 May 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2822134

On the relationship between folding and chemical landscapes in enzyme catalysis

27 May 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2822134

Free-energy landscape of enzyme catalysis

27 May 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2822134

Exploring the role of large conformational changes in the fidelity of DNA polymerase beta

27 May 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2822134

The MARTINI force field: coarse grained model for biomolecular simulations

27 May 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2822134

From coarse-grain to all-atom: toward multiscale analysis of protein landscapes

27 May 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2822134

Modeling electrostatic effects in proteins

27 May 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2822134

Monte Carlo simulations of proton pumps: on the working principles of the biological valve that controls proton pumping in cytochrome c oxidase

27 May 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2822134

Constant pH molecular dynamics with proton tautomerism

27 May 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2822134

Structure validation by Calpha geometry: phi,psi and Cbeta deviation

27 May 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2822134

The penultimate rotamer library

27 May 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2822134

Simulating proton translocations in proteins: probing proton transfer pathways in the Rhodobacter sphaeroides reaction center

27 May 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2822134

Simulation of electron-proton coupling with a Monte Carlo method: application to cytochrome c3 using continuum electrostatics.

27 May 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2822134

Macroscopic models for studies of electrostatic interactions in proteins: limitations and applicability

27 May 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2822134

Calculations of electrostatic interactions in biological systems and in solutions

27 May 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2822134

Spin glasses and the statistical mechanics of protein folding

27 May 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2822134

Dominant forces in protein folding

27 May 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2822134

A lattice model for protein structure prediction at low resolution

27 May 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2822134

Computer simulation of protein folding

27 May 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2822134

Conversion of light energy to electrostatic energy in the proton pump of Halobacterium halobium

27 May 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2822134

Relative tolerance of an enzymatic molten globule and its thermostable counterpart to point mutation

27 May 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2822134

Electrostatic contributions to protein stability and folding energy

16 August 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2822134

Realistic simulations of proton transport along the gramicidin channel: demonstrating the importance of solvation effects

16 August 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2822134

Towards accurate ab initio QM/MM calculations of free-energy profiles of enzymatic reactions

16 August 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2822134

Ubiquitin folds through a highly polarized transition state.

16 August 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2822134

Exploring the origin of the ion selectivity of the KcsA potassium channel

16 August 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2822134

Folding simulations and computer redesign of protein A three-helix bundle motifs

16 August 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2822134

Conserved residues and the mechanism of protein folding

16 August 2018

1 reference

PubMed

https://pubmed.ncbi.nlm.nih.gov/20052756

inferred from PubMed ID database lookup

12 December 2020

based on heuristic

Simulation of protein conformational freedom as a function of pH: constant-pH molecular dynamics using implicit titration

1 reference

PubMed

https://pubmed.ncbi.nlm.nih.gov/20052756

inferred from PubMed ID database lookup

12 December 2020

based on heuristic

Minimalist protein model as a diagnostic tool for misfolding and aggregation

1 reference

PubMed

https://pubmed.ncbi.nlm.nih.gov/20052756

inferred from PubMed ID database lookup

12 December 2020

based on heuristic

The penultimate rotamer library

1 reference

11 October 2022

https://opencitations.net/index/coci/api/v1/references/10.1002/PROT.22640

Identifiers

DOI

10.1002/PROT.22640

1 reference

11 November 2017

1 reference

11 November 2017

PubMed publication ID

20052756

1 reference