Revised AMBER parameters for bioorganic phosphates (Q42415002)

30 October 2017

Revised AMBER parameters for bioorganic phosphates (English)

1 reference

30 October 2017

T Steinbrecher

1

1 reference

30 October 2017

J Latzer

series ordinal

2

1 reference

30 October 2017

D A Case

series ordinal

3

1 reference

30 October 2017

12 September 2012

1 reference

Journal of Chemical Theory and Computation

30 October 2017

1 reference

30 October 2017

8

1 reference

30 October 2017

11

1 reference

30 October 2017

4405-4412

1 reference

Soft-core potentials in thermodynamic integration: comparing one- and two-step transformations

30 October 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3524595

Determination of alkali and halide monovalent ion parameters for use in explicitly solvated biomolecular simulations

28 May 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3524595

The role of phosphorylation on the structure and dynamics of phospholamban: a model from molecular simulations

28 May 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3524595

AMBER force-field parameters for phosphorylated amino acids in different protonation states: phosphoserine, phosphothreonine, phosphotyrosine, and phosphohistidine

28 May 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3524595

Specificity in signal transduction: from phosphotyrosine-SH2 domain interactions to complex cellular systems

28 May 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3524595

Prediction of secondary ionization of the phosphate group in phosphotyrosine peptides

28 May 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3524595

Cell signaling by receptor tyrosine kinases

28 May 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3524595

From form to function: signaling by protein tyrosine phosphatases.

28 May 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3524595

Transcriptional control by protein phosphorylation: signal transmission from the cell surface to the nucleus

28 May 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3524595

The regulation of transcription by phosphorylation

28 May 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3524595

"Squiggle-H2O". An enquiry into the importance of solvation effects in phosphate ester and anhydride reactions.

28 May 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3524595

Accounting for polarization cost when using fixed charge force fields. I. Method for computing energy

28 May 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3524595

16 August 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3524595

Benchmark calculations of proton affinities and gas-phase basicities of molecules important in the study of biological phosphoryl transfer.

16 August 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3524595

Ion solvation thermodynamics from simulation with a polarizable force field

16 August 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3524595

A multistep approach to structure-based drug design: studying ligand binding at the human neutrophil elastase

16 August 2018

1 reference

PubMed

https://pubmed.ncbi.nlm.nih.gov/23264757

inferred from PubMed ID database lookup

12 December 2020

based on heuristic

Absolute hydration free energy scale for alkali and halide ions established from simulations with a polarizable force field

1 reference

PubMed

https://pubmed.ncbi.nlm.nih.gov/23264757

inferred from PubMed ID database lookup

12 December 2020

based on heuristic

Insights into unbinding mechanisms upon two mutations investigated by molecular dynamics study of GSK3beta-axin complex: role of packing hydrophobic residues

1 reference

PubMed

https://pubmed.ncbi.nlm.nih.gov/23264757

inferred from PubMed ID database lookup

12 December 2020

based on heuristic

Identifiers

DOI

10.1021/CT300613V

1 reference

30 October 2017

1 reference

30 October 2017

PubMed publication ID

23264757

1 reference