UB Paderborn / Katalog / Suche / in CDI

Sortiert nach

Einfacher Volltextzugriff von (fast) überall

Installieren Sie die LibKey Nomad-Browsererweiterung und erhalten Sie von vielen Webseiten einfachen Zugriff auf lizenzierte Volltexte oder Open Access Publikationen. Mehr erfahren...

Rapid Calculation of Accurate Atomic Charges for Proteins via the Electronegativity Equalization Method

Journal of chemical information and modeling, 2013-10, Vol.53 (10), p.2548-2558

2013

Volltextzugriff (PDF)

OverProt: secondary structure consensus for protein families

Bioinformatics, 2022-07, Vol.38 (14), p.3648-3650

2022

Volltextzugriff (PDF)

2DProts: database of family-wide protein secondary structure diagrams

Bioinformatics, 2021-12, Vol.37 (23), p.4599-4601

2021

Volltextzugriff (PDF)

ValTrendsDB: bringing Protein Data Bank validation information closer to the user

Bioinformatics (Oxford, England), 2019-12, Vol.35 (24), p.5389-5390

2019

Volltextzugriff (PDF)

High‐performance macromolecular data delivery and visualization for the web

Acta crystallographica. Section D, Biological crystallography., 2020-12, Vol.76 (12), p.1167-1173

2020

Volltextzugriff (PDF)

MOLE 2.0: advanced approach for analysis of biomacromolecular channels

Journal of cheminformatics, 2013-08, Vol.5 (1), p.39-39, Article 39

2013

Volltextzugriff (PDF)

Validation of ligands in macromolecular structures determined by X‐ray crystallography

Acta crystallographica. Section D, Biological crystallography., 2018-03, Vol.74 (3), p.228-236

2018

Volltextzugriff (PDF)

BinaryCIF and CIFTools-Lightweight, efficient and extensible macromolecular data management

PLoS computational biology, 2020-10, Vol.16 (10), p.e1008247-e1008247

2020

Volltextzugriff (PDF)

AtomicChargeCalculator: interactive web-based calculation of atomic charges in large biomolecular complexes and drug-like molecules

Journal of cheminformatics, 2015-10, Vol.7 (1), p.50-50, Article 50

2015

Volltextzugriff (PDF)

Electronegativity Equalization Method: Parameterization and Validation for Large Sets of Organic, Organohalogene and Organometal Molecule

International journal of molecular sciences, 2007-07, Vol.8 (7), p.572-582

2007

Volltextzugriff (PDF)

High-quality and universal empirical atomic charges for chemoinformatics applications

Journal of cheminformatics, 2015-12, Vol.7 (1), p.59-59, Article 59

2015

Volltextzugriff (PDF)

Worldwide Protein Data Bank validation information: usage and trends

Acta crystallographica. Section D, Biological crystallography., 2018-03, Vol.74 (3), p.237-244

2018

Volltextzugriff (PDF)

SugarSketcher: Quick and Intuitive Online Glycan Drawing

Molecules (Basel, Switzerland), 2018-12, Vol.23 (12), p.3206

2018

Volltextzugriff (PDF)

Optimized SQE atomic charges for peptides accessible via a web application

Journal of cheminformatics, 2021-06, Vol.13 (1), p.45-45, Article 45

2021

Volltextzugriff (PDF)

Predicting pK a values from EEM atomic charges

Journal of cheminformatics, 2013-04, Vol.5 (1), Article 18

2013

Volltextzugriff (PDF)

Predicting pK a Values of Substituted Phenols from Atomic Charges: Comparison of Different Quantum Mechanical Methods and Charge Distribution Schemes

Journal of chemical information and modeling, 2011-08, Vol.51 (8), p.1795-1806

2011

Volltextzugriff (PDF)

SiteBinder: An Improved Approach for Comparing Multiple Protein Structural Motifs

Journal of chemical information and modeling, 2012-02, Vol.52 (2), p.343-359

2012

Volltextzugriff (PDF)

NEEMP: software for validation, accurate calculation and fast parameterization of EEM charges

Journal of cheminformatics, 2016-10, Vol.8 (1), p.57-57, Article 57

2016

Volltextzugriff (PDF)

Electronegativity equalization method: parameterization and validation for organic molecules using the Merz-Kollman-Singh charge distribution scheme

Journal of computational chemistry, 2009-05, Vol.30 (7), p.1174-1178

2009

Volltextzugriff (PDF)

How Does the Methodology of 3D Structure Preparation Influence the Quality of pK a Prediction?

Journal of chemical information and modeling, 2015-06

2015

Volltextzugriff (PDF)

Complexity and Convergence of Electrostatic and van der Waals Energies within PME and Cutoff Methods

International journal of molecular sciences, 2004-04, Vol.5 (4), p.154-173

2004

Volltextzugriff (PDF)

Identification of Potential Small Molecule Peptidomimetics Similar to Motifs in Proteins

Journal of chemical information and modeling, 2007-03, Vol.47 (2), p.464-474

2007

Volltextzugriff (PDF)

Web Server To Identify Similarity of Amino Acid Motifs to Compounds (SAAMCO)

Journal of Chemical Information and Modeling, 2008-07, Vol.48 (7), p.1524-1529

2008

Volltextzugriff (PDF)

The Eighth Central European Conference "Chemistry towards Biology": Snapshot

Molecules (Basel, Switzerland), 2016-10, Vol.21 (10), p.1381-1381

2016

Volltextzugriff (PDF)

The prehistory and early history of the Šumava Mountains (Czech Republic) as seen through anthropogenic pollen indicators and charcoal data

Holocene (Sevenoaks), 2021-01, Vol.31 (1), p.145-159

2021

Volltextzugriff (PDF)

1 – 25 von 30

Suche als RSS-Feed

Aktive Filter

ThemaPhysical Sciences

Suchergebnisse filtern

Filter anzeigen

Nur zeigen

Geprüft (Peer-Review)
(30)
Mit Volltextzugriff
(29)

Publikationsform

Artikel
(29)
Tagungsberichte
(1)

Sprache

Englisch
(30)

Erscheinungsjahr

n.n

Neu hinzugefügt

... seit 90 Tagen
(1)

Menü

Weitere Dienste

Einstellungen

Rapid Calculation of Accurate Atomic Charges for Proteins via the Electronegativity Equalization Method

OverProt: secondary structure consensus for protein families

2DProts: database of family-wide protein secondary structure diagrams

ValTrendsDB: bringing Protein Data Bank validation information closer to the user

High‐performance macromolecular data delivery and visualization for the web

MOLE 2.0: advanced approach for analysis of biomacromolecular channels

Validation of ligands in macromolecular structures determined by X‐ray crystallography

BinaryCIF and CIFTools-Lightweight, efficient and extensible macromolecular data management

AtomicChargeCalculator: interactive web-based calculation of atomic charges in large biomolecular complexes and drug-like molecules

Electronegativity Equalization Method: Parameterization and Validation for Large Sets of Organic, Organohalogene and Organometal Molecule

High-quality and universal empirical atomic charges for chemoinformatics applications

Worldwide Protein Data Bank validation information: usage and trends

SugarSketcher: Quick and Intuitive Online Glycan Drawing

Optimized SQE atomic charges for peptides accessible via a web application

Predicting pK a values from EEM atomic charges

Predicting pK a Values of Substituted Phenols from Atomic Charges: Comparison of Different Quantum Mechanical Methods and Charge Distribution Schemes

SiteBinder: An Improved Approach for Comparing Multiple Protein Structural Motifs

NEEMP: software for validation, accurate calculation and fast parameterization of EEM charges

Electronegativity equalization method: parameterization and validation for organic molecules using the Merz-Kollman-Singh charge distribution scheme

How Does the Methodology of 3D Structure Preparation Influence the Quality of pK a Prediction?

Complexity and Convergence of Electrostatic and van der Waals Energies within PME and Cutoff Methods

Identification of Potential Small Molecule Peptidomimetics Similar to Motifs in Proteins

Web Server To Identify Similarity of Amino Acid Motifs to Compounds (SAAMCO)

The Eighth Central European Conference "Chemistry towards Biology": Snapshot

The prehistory and early history of the Šumava Mountains (Czech Republic) as seen through anthropogenic pollen indicators and charcoal data

Aktive Filter

Suchergebnisse filtern