(Q41843314)

13 October 2017

Prediction of titration properties of structures of a protein derived from molecular dynamics trajectories (English)

1 reference

protein structure prediction

13 October 2017

0 references

author name string

Wlodek ST

series ordinal

1

1 reference

PMCID

2143648

13 October 2017

Antosiewicz J

series ordinal

2

1 reference

PMCID

2143648

13 October 2017

McCammon JA

series ordinal

3

1 reference

13 October 2017

1 February 1997

1 reference

13 October 2017

1 reference

13 October 2017

6

1 reference

13 October 2017

2

1 reference

13 October 2017

373-382

1 reference

Explicit solvent models in protein pKa calculations.

13 October 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2143648

Conformation and hydrogen ion titration of proteins: a continuum electrostatic model with conformational flexibility

6 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2143648

Prediction of pH-dependent properties of proteins

6 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2143648

Electrostatic effects and hydrogen exchange behaviour in proteins. The pH dependence of exchange rates in lysozyme

6 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2143648

pKa's of ionizable groups in proteins: atomic detail from a continuum electrostatic model

6 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2143648

Determination of a high-quality nuclear magnetic resonance solution structure of the bovine pancreatic trypsin inhibitor and comparison with three crystal structures

6 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2143648

The Protein Data Bank: a computer-based archival file for macromolecular structures

6 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2143648

High-field carbon-13 nuclear magnetic resonance studies at 90.5 MHz of the basic pancreatic trypsin inhibitor

6 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2143648

A Study of the Lysyl Residues in the Basic Pancreatic Trypsin Inhibitor using 1H Nuclear Magnetic Resonance at 360 MHz

6 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2143648

The determinants of pKas in proteins

6 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2143648

Analysis of electrostatic interactions and their relationship to conformation and stability of bovine pancreatic trypsin inhibitor.

18 August 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2143648

The Influence of a Single Salt Bridge on Static and Dynamic Features of the Globular Solution Conformation of the Basic Pancreatic Trypsin Inhibitor. 1H and 13C Nuclear-Magnetic-Resonance Studies of the Native and the Transaminated Inhibitor

18 August 2018

1 reference

Crossref

https://api.crossref.org/works/10.1002%2FPRO.5560060213

Polar hydrogen positions in proteins: Empirical energy placement and neutron diffraction comparison

21 January 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2143648

Multiple-site titration and molecular modeling: two rapid methods for computing energies and forces for ionizable groups in proteins

2 December 2018

1 reference

PubMed

https://pubmed.ncbi.nlm.nih.gov/9041639

inferred from PubMed ID database lookup

12 December 2020

based on heuristic

On the calculation of pKas in proteins

1 reference

PubMed

https://pubmed.ncbi.nlm.nih.gov/9041639

inferred from PubMed ID database lookup

12 December 2020

based on heuristic

Identifiers

DOI

10.1002/PRO.5560060213

1 reference

13 October 2017

1 reference

13 October 2017

1 reference

PMCID

2143648