(Q34018484)

30 July 2017

title

Transition Path Sampling Study of the Reaction Catalyzed by Purine Nucleoside Phosphorylase (English)

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30 July 2017

2

Vern L Schramm

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30 July 2017

Suwipa Saen-Oon

1

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30 July 2017

Steven D Schwartz

series ordinal

3

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30 July 2017

publication date

1 January 2008

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Zeitschrift fuer Physikalische Chemie

30 July 2017

published in

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30 July 2017

volume

222

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30 July 2017

issue

8-9

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30 July 2017

page(s)

1359-1374

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Atomic detail of chemical transformation at the transition state of an enzymatic reaction

30 July 2017

cites work

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2909608

Remote mutations and active site dynamics correlate with catalytic properties of purine nucleoside phosphorylase

5 July 2018

1 reference

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Reaction coordinate of an enzymatic reaction revealed by transition path sampling

5 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2909608

Neighboring Group Participation in the Transition State of Human Purine Nucleoside Phosphorylase †

5 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2909608

A combined quantum mechanical and molecular mechanical study of the reaction mechanism and alpha-amino acidity in alanine racemase

5 July 2018

1 reference

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Charge delocalization in proton channels, I: the aquaporin channels and proton blockage

5 July 2018

1 reference

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Computational and theoretical methods to explore the relation between enzyme dynamics and catalysis

5 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2909608

Transition-path sampling of β-hairpin folding

5 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2909608

Purine nucleoside phosphorylase. 1. Structure-function studies

5 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2909608

Application of crystallographic and modeling methods in the design of purine nucleoside phosphorylase inhibitors

5 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2909608

Nucleoside-phosphorylase deficiency in a child with severely defective T-cell immunity and normal B-cell immunity

5 July 2018

1 reference

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Human erythrocytic purine nucleoside phosphorylase: reaction with sugar-modified nucleoside substrates

5 July 2018

1 reference

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How enzyme dynamics helps catalyze a reaction in atomic detail: a transition path sampling study

21 January 2018

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A combined quantum mechanical and molecular mechanical potential for molecular dynamics simulations

21 January 2018

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https://api.crossref.org/works/10.1524%2FZPCH.2008.5395

Plasmodium falciparum purine nucleoside phosphorylase: crystal structures, immucillin inhibitors, and dual catalytic function

21 January 2018

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https://api.crossref.org/works/10.1524%2FZPCH.2008.5395

Purine nucleoside phosphorylase. Catalytic mechanism and transition-state analysis of the arsenolysis reaction.

21 January 2018

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CHARMM: A program for macromolecular energy, minimization, and dynamics calculations

21 January 2018

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Optimization of parameters for semiempirical methods I. Method

21 January 2018

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THE weighted histogram analysis method for free-energy calculations on biomolecules. I. The method

21 January 2018

1 reference

https://api.crossref.org/works/10.1524%2FZPCH.2008.5395

Altered thermodynamics from remote mutations altering human toward bovine purine nucleoside phosphorylase

21 January 2018

1 reference

https://api.crossref.org/works/10.1524%2FZPCH.2008.5395

Mechanisms of antibiotic resistance: QM/MM modeling of the acylation reaction of a class A beta-lactamase with benzylpenicillin

21 January 2018

1 reference

https://api.crossref.org/works/10.1524%2FZPCH.2008.5395

Promoting vibrations in human purine nucleoside phosphorylase. A molecular dynamics and hybrid quantum mechanical/molecular mechanical study

21 January 2018

1 reference

https://api.crossref.org/works/10.1524%2FZPCH.2008.5395

Free energy calculation from steered molecular dynamics simulations using Jarzynski’s equality

21 January 2018

1 reference

https://api.crossref.org/works/10.1524%2FZPCH.2008.5395

Fast-growth thermodynamic integration: Error and efficiency analysis

21 January 2018

1 reference

https://api.crossref.org/works/10.1524%2FZPCH.2008.5395

21 January 2018

Identifiers

DOI

10.1524/ZPCH.2008.5395

1 reference

30 July 2017

1 reference

30 July 2017

1 reference