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...

The Small Molecule IMR-1 Inhibits the Notch Transcriptional Activation Complex to Suppress Tumorigenesis

Cancer research (Chicago, Ill.), 2016-06, Vol.76 (12), p.3593-3603

2016

Volltextzugriff (PDF)

Polarizable empirical force field for nitrogen-containing heteroaromatic compounds based on the classical Drude oscillator

Journal of computational chemistry, 2009-09, Vol.30 (12), p.1821-1838

2009

Volltextzugriff (PDF)

Intrinsic Energy Landscapes of Amino Acid Side-Chains

Journal of chemical information and modeling, 2012-06, Vol.52 (6), p.1559-1572

2012

Volltextzugriff (PDF)

Fast Simulation Methods for Chemistry and Biology Based on Quantum Mechanics

Biophysical journal, 2019-02, Vol.116 (3), p.140a-140a

Lopes, Pedro E.M.

2019

Volltextzugriff (PDF)

Towards Fast Simulation Methods Based on Quantum Mechanics

Biochimica et biophysica acta. Bioenergetics, 2018-09, Vol.1859, p.e115-e116

Lopes, Pedro E.M.

2018

Volltextzugriff (PDF)

Correction to Intrinsic Energy Landscapes of Amino Acid Side-Chains

Journal of chemical information and modeling, 2012-08, Vol.52 (8), p.2317-2318

2012

Volltextzugriff (PDF)

Optimization of the Additive CHARMM All-Atom Protein Force Field Targeting Improved Sampling of the Backbone ϕ, ψ and Side-Chain χ1 and χ2 Dihedral Angles

Journal of chemical theory and computation, 2012-09, Vol.8 (9), p.3257-3273

2012

Volltextzugriff (PDF)

Polarizable Force Field for Peptides and Proteins Based on the Classical Drude Oscillator

Journal of chemical theory and computation, 2013-12, Vol.9 (12), p.5430-5449

2013

Volltextzugriff (PDF)

A Polarizable Force Field of Dipalmitoylphosphatidylcholine Based on the Classical Drude Model for Molecular Dynamics Simulations of Lipids

The journal of physical chemistry. B, 2013-08, Vol.117 (31), p.9142-9160

2013

Volltextzugriff (PDF)

Recent Advances in Polarizable Force Fields for Macromolecules: Microsecond Simulations of Proteins Using the Classical Drude Oscillator Model

The journal of physical chemistry letters, 2014-09, Vol.5 (18), p.3144-3150

2014

Volltextzugriff (PDF)

Polarizable Force Field for Molecular Ions Based on the Classical Drude Oscillator

Journal of chemical information and modeling, 2018-05, Vol.58 (5), p.993-1004

2018

Volltextzugriff (PDF)

Molecular modeling and dynamics studies with explicit inclusion of electronic polarizability: theory and applications

Theoretical chemistry accounts, 2009-09, Vol.124 (1-2), p.11-28

2009

Volltextzugriff (PDF)

Six-site polarizable model of water based on the classical Drude oscillator

The Journal of chemical physics, 2013-01, Vol.138 (3), p.034508-034508

2013

Volltextzugriff (PDF)

Current status of protein force fields for molecular dynamics simulations

Methods in molecular biology (Clifton, N.J.), 2015, Vol.1215, p.47

2015

Volltextzugriff (PDF)

Recent developments and applications of the CHARMM force fields

Wiley interdisciplinary reviews. Computational molecular science, 2012-01, Vol.2 (1), p.167-185

2012

Volltextzugriff (PDF)

Accurate Calculation of Hydration Free Energies using Pair-Specific Lennard-Jones Parameters in the CHARMM Drude Polarizable Force Field

Journal of chemical theory and computation, 2010-04, Vol.6 (4), p.1181-1198

2010

Volltextzugriff (PDF)

Polarizable Empirical Force Field for Acyclic Polyalcohols Based on the Classical Drude Oscillator

Biopolymers, 2013-10, Vol.99 (10), p.724-738

2013

Volltextzugriff (PDF)

Development of an Empirical Force Field for Silica. Application to the Quartz−Water Interface

The journal of physical chemistry. B, 2006-02, Vol.110 (6), p.2782-2792

2006

Volltextzugriff (PDF)

Fast calculation of two-electron-repulsion integrals: a numerical approach

Theoretical chemistry accounts, 2017-09, Vol.136 (9), p.1-13, Article 112

Lopes, Pedro E. M.

2017

Volltextzugriff (PDF)

An ‘atoms in molecules’ (AIM) analysis of the dihydrogen bond in organometallic compounds

Journal of organometallic chemistry, 2000-09, Vol.609 (1), p.53-59

2000

Volltextzugriff (PDF)

Polarizable Empirical Force Field for Aromatic Compounds Based on the Classical Drude Oscillator

The journal of physical chemistry. B, 2007-03, Vol.111 (11), p.2873-2885

2007

Volltextzugriff (PDF)

Kirkwood-Buff analysis of aqueous N-methylacetamide and acetamide solutions modeled by the CHARMM additive and Drude polarizable force fields

The Journal of chemical physics, 2013-08, Vol.139 (8), p.084509-084509

2013

Volltextzugriff (PDF)

Atomic Level Anisotropy in the Electrostatic Modeling of Lone Pairs for a Polarizable Force Field Based on the Classical Drude Oscillator

Journal of chemical theory and computation, 2006-11, Vol.2 (6), p.1587-1597

2006

Volltextzugriff (PDF)

Small Molecule Antivirulents Targeting the Iron-Regulated Heme Oxygenase (HemO) of P. aeruginosa

Journal of medicinal chemistry, 2013-03, Vol.56 (5), p.2097-2109

2013

Volltextzugriff (PDF)

1 – 25 von 38

Suche als RSS-Feed

Suchergebnisse filtern

Filter anzeigen

Nur zeigen

Geprüft (Peer-Review)
(35)
Mit Volltextzugriff
(36)

Publikationsform

Artikel
(36)
Buchkapitel
(2)

Sprache

Englisch
(38)

Erscheinungsjahr

n.n

Menü

Weitere Dienste

Einstellungen

The Small Molecule IMR-1 Inhibits the Notch Transcriptional Activation Complex to Suppress Tumorigenesis

Polarizable empirical force field for nitrogen-containing heteroaromatic compounds based on the classical Drude oscillator

Intrinsic Energy Landscapes of Amino Acid Side-Chains

Fast Simulation Methods for Chemistry and Biology Based on Quantum Mechanics

Towards Fast Simulation Methods Based on Quantum Mechanics

Correction to Intrinsic Energy Landscapes of Amino Acid Side-Chains

Optimization of the Additive CHARMM All-Atom Protein Force Field Targeting Improved Sampling of the Backbone ϕ, ψ and Side-Chain χ1 and χ2 Dihedral Angles

Polarizable Force Field for Peptides and Proteins Based on the Classical Drude Oscillator

A Polarizable Force Field of Dipalmitoylphosphatidylcholine Based on the Classical Drude Model for Molecular Dynamics Simulations of Lipids

Recent Advances in Polarizable Force Fields for Macromolecules: Microsecond Simulations of Proteins Using the Classical Drude Oscillator Model

Polarizable Force Field for Molecular Ions Based on the Classical Drude Oscillator

Molecular modeling and dynamics studies with explicit inclusion of electronic polarizability: theory and applications

Six-site polarizable model of water based on the classical Drude oscillator

Current status of protein force fields for molecular dynamics simulations

Recent developments and applications of the CHARMM force fields

Accurate Calculation of Hydration Free Energies using Pair-Specific Lennard-Jones Parameters in the CHARMM Drude Polarizable Force Field

Polarizable Empirical Force Field for Acyclic Polyalcohols Based on the Classical Drude Oscillator

Development of an Empirical Force Field for Silica. Application to the Quartz−Water Interface

Fast calculation of two-electron-repulsion integrals: a numerical approach

Glucosylpolyphenols as Inhibitors of Aβ-Induced Fyn Kinase Activation and Tau Phosphorylation: Synthesis, Membrane Permeability, and Exploratory Target Assessment within the Scope of Type 2 Diabetes and Alzheimer’s Disease

An ‘atoms in molecules’ (AIM) analysis of the dihydrogen bond in organometallic compounds

Polarizable Empirical Force Field for Aromatic Compounds Based on the Classical Drude Oscillator

Kirkwood-Buff analysis of aqueous N-methylacetamide and acetamide solutions modeled by the CHARMM additive and Drude polarizable force fields

Atomic Level Anisotropy in the Electrostatic Modeling of Lone Pairs for a Polarizable Force Field Based on the Classical Drude Oscillator

Small Molecule Antivirulents Targeting the Iron-Regulated Heme Oxygenase (HemO) of P. aeruginosa

Suchergebnisse filtern