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...

Refinement of the Cornell et al. Nucleic Acids Force Field Based on Reference Quantum Chemical Calculations of Glycosidic Torsion Profiles

Journal of chemical theory and computation, 2011-09, Vol.7 (9), p.2886-2902

2011

Volltextzugriff (PDF)

Ion Binding to Quadruplex DNA Stems. Comparison of MM and QM Descriptions Reveals Sizable Polarization Effects Not Included in Contemporary Simulations

Journal of chemical theory and computation, 2014-03, Vol.10 (3), p.1326-1340

2014

Volltextzugriff (PDF)

Relative Stability of Different DNA Guanine Quadruplex Stem Topologies Derived Using Large-Scale Quantum-Chemical Computations

Journal of the American Chemical Society, 2013-07, Vol.135 (26), p.9785-9796

2013

Volltextzugriff (PDF)

On the Road from Formamide Ices to Nucleobases: IR-Spectroscopic Observation of a Direct Reaction between Cyano Radicals and Formamide in a High-Energy Impact Event

Journal of the American Chemical Society, 2012-12, Vol.134 (51), p.20788-20796

2012

Volltextzugriff (PDF)

From head micro-motions towards CSF dynamics and non-invasive intracranial pressure monitoring

Scientific reports, 2021-07, Vol.11 (1), p.14349-14349, Article 14349

2021

Volltextzugriff (PDF)

Nature and magnitude of aromatic base stacking in DNA and RNA: Quantum chemistry, molecular mechanics, and experiment

Biopolymers, 2013-12, Vol.99 (12), p.978-988

2013

Volltextzugriff (PDF)

Quantum Chemical Calculations of NMR Chemical Shifts in Phosphorylated Intrinsically Disordered Proteins

Journal of chemical theory and computation, 2019-10, Vol.15 (10), p.5642-5658

2019

Volltextzugriff (PDF)

Normal pressure hydrocephalus—an overview of pathophysiological mechanisms and diagnostic procedures

Neurosurgical review, 2020-12, Vol.43 (6), p.1451-1464

2020

Volltextzugriff (PDF)

Choice of Force Field for Proteins Containing Structured and Intrinsically Disordered Regions

Biophysical journal, 2020-04, Vol.118 (7), p.1621-1633

2020

Volltextzugriff (PDF)

The DNA and RNA sugar-phosphate backbone emerges as the key player. An overview of quantum-chemical, structural biology and simulation studies

Physical chemistry chemical physics : PCCP, 2012-11, Vol.14 (44), p.15257-15277

2012

Volltextzugriff (PDF)

First experiences with Miethke M.blue® valve in iNPH patients

Journal of clinical neuroscience, 2022-04, Vol.98, p.127-132

2022

Volltextzugriff (PDF)

Improving IDP theoretical chemical shift accuracy and efficiency through a combined MD/ADMA/DFT and machine learning approach

Physical chemistry chemical physics : PCCP, 2022-11, Vol.24 (45), p.27678-27692

2022

Volltextzugriff (PDF)

Prediction of Shunt Responsiveness in Suspected Patients With Normal Pressure Hydrocephalus Using the Lumbar Infusion Test: A Machine Learning Approach

Neurosurgery, 2022-04, Vol.90 (4), p.407-418

2022

Volltextzugriff (PDF)

Can We Accurately Describe the Structure of Adenine Tracts in B-DNA? Reference Quantum-Chemical Computations Reveal Overstabilization of Stacking by Molecular Mechanics

Journal of chemical theory and computation, 2012-07, Vol.8 (7), p.2448-2460

2012

Volltextzugriff (PDF)

Formamide-Based Prebiotic Synthesis of Nucleobases: A Kinetically Accessible Reaction Route

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2012-01, Vol.116 (1), p.720-726

2012

Volltextzugriff (PDF)

Trans Hoogsteen/Sugar Edge Base Pairing in RNA. Structures, Energies, and Stabilities from Quantum Chemical Calculations

The journal of physical chemistry. B, 2009-02, Vol.113 (6), p.1743-1755

2009

Volltextzugriff (PDF)

Energies and 2′-Hydroxyl Group Orientations of RNA Backbone Conformations. Benchmark CCSD(T)/CBS Database, Electronic Analysis, and Assessment of DFT Methods and MD Simulations

Journal of chemical theory and computation, 2014-01, Vol.10 (1), p.463-480

2014

Volltextzugriff (PDF)

Structural volumetry in NPH diagnostics and treatment—future or dead end?

Neurosurgical review, 2021-02, Vol.44 (1), p.503-514

2021

Volltextzugriff (PDF)

Development of In-Browser Simulators for Medical Education: Introduction of a Novel Software Toolchain

Journal of medical Internet research, 2019-07, Vol.21 (7), p.e14160-e14160

2019

Volltextzugriff (PDF)

Boosting phase-contrast MRI performance in idiopathic normal pressure hydrocephalus diagnostics by means of machine learning approach

Neurosurgical focus, 2022-04, Vol.52 (4), p.E6-E6

2022

Volltextzugriff (PDF)

Role of DESH, callosal angle and cingulate sulcus sign in prediction of gait responsiveness after shunting in iNPH patients

Journal of clinical neuroscience, 2021-01, Vol.83, p.99-107

2021

Volltextzugriff (PDF)

How to understand quantum chemical computations on DNA and RNA systems? A practical guide for non-specialists

Methods (San Diego, Calif.), 2013-11, Vol.64 (1), p.3-11

2013

Volltextzugriff (PDF)

Benchmark quantum-chemical calculations on a complete set of rotameric families of the DNA sugar―phosphate backbone and their comparison with modern density functional theory

Physical chemistry chemical physics : PCCP, 2013-01, Vol.15 (19), p.7295-7310

2013

Volltextzugriff (PDF)

Understanding the Sequence Preference of Recurrent RNA Building Blocks Using Quantum Chemistry: The Intrastrand RNA Dinucleotide Platform

Journal of chemical theory and computation, 2012-01, Vol.8 (1), p.335-347

2012

Volltextzugriff (PDF)

On the Geometry and Electronic Structure of the As-DNA Backbone

The journal of physical chemistry letters, 2011-03, Vol.2 (5), p.389-392

2011

Volltextzugriff (PDF)

1 – 25 von 46

Suche als RSS-Feed

Suchergebnisse filtern

Filter anzeigen

Nur zeigen

Geprüft (Peer-Review)
(36)
Mit Volltextzugriff
(40)

Publikationsform

Sprache

Erscheinungsjahr

n.n

Thema

Science & Technology
(31)
Chemistry
(18)
Physical Sciences
(18)
Chemistry, Physical
(16)
Physics
(15)
Physics, Atomic, Molecular & Chemical
(15)
Life Sciences & Biomedicine
(12)
Quantum Theory
(10)
Neurosciences & Neurology
(7)
Quantum Chemistry
(7)
Clinical Neurology
(6)
Dna - Chemistry
(6)
Humans
(6)
Molecular Dynamics Simulation
(6)
Normal Pressure Hydrocephalus
(5)
Rna - Chemistry
(5)
Surgery
(5)
Computer Simulation
(4)
Machine Learning
(4)
Models, Molecular
(4)

15 weitere anzeigen...

Weniger anzeigen...

Menü

Weitere Dienste

Einstellungen

Refinement of the Cornell et al. Nucleic Acids Force Field Based on Reference Quantum Chemical Calculations of Glycosidic Torsion Profiles

Ion Binding to Quadruplex DNA Stems. Comparison of MM and QM Descriptions Reveals Sizable Polarization Effects Not Included in Contemporary Simulations

Relative Stability of Different DNA Guanine Quadruplex Stem Topologies Derived Using Large-Scale Quantum-Chemical Computations

On the Road from Formamide Ices to Nucleobases: IR-Spectroscopic Observation of a Direct Reaction between Cyano Radicals and Formamide in a High-Energy Impact Event

From head micro-motions towards CSF dynamics and non-invasive intracranial pressure monitoring

Nature and magnitude of aromatic base stacking in DNA and RNA: Quantum chemistry, molecular mechanics, and experiment

Quantum Chemical Calculations of NMR Chemical Shifts in Phosphorylated Intrinsically Disordered Proteins

Normal pressure hydrocephalus—an overview of pathophysiological mechanisms and diagnostic procedures

Choice of Force Field for Proteins Containing Structured and Intrinsically Disordered Regions

The DNA and RNA sugar-phosphate backbone emerges as the key player. An overview of quantum-chemical, structural biology and simulation studies

First experiences with Miethke M.blue® valve in iNPH patients

Improving IDP theoretical chemical shift accuracy and efficiency through a combined MD/ADMA/DFT and machine learning approach

Prediction of Shunt Responsiveness in Suspected Patients With Normal Pressure Hydrocephalus Using the Lumbar Infusion Test: A Machine Learning Approach

Can We Accurately Describe the Structure of Adenine Tracts in B-DNA? Reference Quantum-Chemical Computations Reveal Overstabilization of Stacking by Molecular Mechanics

Formamide-Based Prebiotic Synthesis of Nucleobases: A Kinetically Accessible Reaction Route

Trans Hoogsteen/Sugar Edge Base Pairing in RNA. Structures, Energies, and Stabilities from Quantum Chemical Calculations

Energies and 2′-Hydroxyl Group Orientations of RNA Backbone Conformations. Benchmark CCSD(T)/CBS Database, Electronic Analysis, and Assessment of DFT Methods and MD Simulations

Structural volumetry in NPH diagnostics and treatment—future or dead end?

Development of In-Browser Simulators for Medical Education: Introduction of a Novel Software Toolchain

Boosting phase-contrast MRI performance in idiopathic normal pressure hydrocephalus diagnostics by means of machine learning approach

Role of DESH, callosal angle and cingulate sulcus sign in prediction of gait responsiveness after shunting in iNPH patients

How to understand quantum chemical computations on DNA and RNA systems? A practical guide for non-specialists

Benchmark quantum-chemical calculations on a complete set of rotameric families of the DNA sugar―phosphate backbone and their comparison with modern density functional theory

Understanding the Sequence Preference of Recurrent RNA Building Blocks Using Quantum Chemistry: The Intrastrand RNA Dinucleotide Platform

On the Geometry and Electronic Structure of the As-DNA Backbone

Suchergebnisse filtern