(Q27861014)

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PDB2PQR: an automated pipeline for the setup of Poisson-Boltzmann electrostatics calculations

scientific article (publication date: July 2004)

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PDB2PQR: an automated pipeline for the setup of Poisson-Boltzmann electrostatics calculations (English)

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Nathan A Baker

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J. Andrew McCammon

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3

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J Andrew McCammon

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author name string

Todd J Dolinsky

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1

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Jens E Nielsen

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2

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English

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publication date

1 July 2004

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published in

Nucleic Acids Research

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volume

32

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page(s)

W665-7

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Web Server issue

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cites work

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PubMed Central

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Implicit solvent models

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The distribution and query systems of the RCSB Protein Data Bank

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Positioning hydrogen atoms by optimizing hydrogen-bond networks in protein structures

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Optimizing the hydrogen-bond network in Poisson-Boltzmann equation-based pK(a) calculations.

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Improving macromolecular electrostatics calculations

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Poisson–Boltzmann Methods for Biomolecular Electrostatics

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PubMed

reference URL

https://pubmed.ncbi.nlm.nih.gov/15215472

retrieved

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based on heuristic

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

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PubMed

reference URL

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retrieved

12 December 2020

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Identifiers

DOI

10.1093/NAR/GKH381

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Consolidated OpenCitations Corpus – April 2017

OpenCitations bibliographic resource ID

978689

DBLP publication ID

journals/nar/DolinskyNMB04

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DBLP Dataset 2021-01-02

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28 January 2021

OpenCitations bibliographic resource ID

978689

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Consolidated OpenCitations Corpus – April 2017

OpenCitations bibliographic resource ID

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Consolidated OpenCitations Corpus – April 2017

OpenCitations bibliographic resource ID

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Consolidated OpenCitations Corpus – April 2017

OpenCitations bibliographic resource ID

978689

ResearchGate publication ID

8493726

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(Q27861014)

PDB2PQR: an automated pipeline for the setup of Poisson-Boltzmann electrostatics calculations

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