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...

Complex reaction processes in combustion unraveled by neural network-based molecular dynamics simulation

Nature communications, 2020-11, Vol.11 (1), p.5713-5713, Article 5713

2020

Volltextzugriff (PDF)

DeepBSPa Machine Learning Method for Accurate Prediction of Protein–Ligand Docking Structures

Journal of chemical information and modeling, 2021-05, Vol.61 (5), p.2231-2240

2021

Volltextzugriff (PDF)

ReacNetGenerator: an automatic reaction network generator for reactive molecular dynamics simulations

Physical chemistry chemical physics : PCCP, 2020-01, Vol.22 (2), p.683-691

2020

Volltextzugriff (PDF)

Anchor-Locker Binding Mechanism of the Coronavirus Spike Protein to Human ACE2: Insights from Computational Analysis

Journal of chemical information and modeling, 2021-07, Vol.61 (7), p.3529-3542

2021

Volltextzugriff (PDF)

HergSPred: Accurate Classification of hERG Blockers/Nonblockers with Machine-Learning Models

Journal of chemical information and modeling, 2022-04, Vol.62 (8), p.1830-1839

2022

Volltextzugriff (PDF)

Density Functional Theory Calculations for the Quantum Capacitance Performance of Graphene-Based Electrode Material

Journal of physical chemistry. C, 2015-03, Vol.119 (12), p.6464-6470

2015

Volltextzugriff (PDF)

End-Point Binding Free Energy Calculation with MM/PBSA and MM/GBSA: Strategies and Applications in Drug Design

Chemical reviews, 2019-08, Vol.119 (16), p.9478-9508

2019

Volltextzugriff (PDF)

Accurate and Efficient Calculation of Protein–Protein Binding Free Energy-Interaction Entropy with Residue Type-Specific Dielectric Constants

Journal of chemical information and modeling, 2019-01, Vol.59 (1), p.272-281

2019

Volltextzugriff (PDF)

DeepBindGCN: Integrating Molecular Vector Representation with Graph Convolutional Neural Networks for Protein-Ligand Interaction Prediction

Molecules (Basel, Switzerland), 2023-06, Vol.28 (12), p.4691

2023

Volltextzugriff (PDF)

Protein–Ligand Empirical Interaction Components for Virtual Screening

Journal of chemical information and modeling, 2017-08, Vol.57 (8), p.1793-1806

2017

Volltextzugriff (PDF)

HobPre: accurate prediction of human oral bioavailability for small molecules

Journal of cheminformatics, 2022-01, Vol.14 (1), p.1-1, Article 1

2022

Volltextzugriff (PDF)

Probiotic Bacillus subtilis 29,784 improved weight gain and enhanced gut health status of broilers under necrotic enteritis condition

Poultry science, 2021-04, Vol.100 (4), p.100981, Article 100981

2021

Volltextzugriff (PDF)

Comparison of full-mouth disinfection and quadrant-wise scaling in the treatment of adult chronic periodontitis: a systematic review and meta-analysis

Journal of periodontal research, 2016-08, Vol.51 (4), p.417-430

2016

Volltextzugriff (PDF)

LincHOTAIR epigenetically silences miR34a by binding to PRC2 to promote the epithelial-to-mesenchymal transition in human gastric cancer

Cell death & disease, 2015-07, Vol.6 (7), p.e1802-e1802

2015

Volltextzugriff (PDF)

An Efficient Approach to the Accurate Prediction of Mutational Effects in Antigen Binding to the MHC1

Molecules (Basel, Switzerland), 2024-02, Vol.29 (4), p.881

2024

Volltextzugriff (PDF)

Entropic effect and residue specific entropic contribution to the cooperativity in streptavidin-biotin binding

Nanoscale, 2020-04, Vol.12 (13), p.7134-7145

2020

Volltextzugriff (PDF)

Electronic structure and magnetic properties of penta-graphene nanoribbons

Physical chemistry chemical physics : PCCP, 2017, Vol.19 (14), p.9528-9536

2017

Volltextzugriff (PDF)

Assessing the performance of MM/PBSA and MM/GBSA methods. 7. Entropy effects on the performance of end-point binding free energy calculation approaches

Physical chemistry chemical physics : PCCP, 2018, Vol.20 (21), p.14450-14460

2018

Volltextzugriff (PDF)

MolGpka: A Web Server for Small Molecule pKa Prediction Using a Graph-Convolutional Neural Network

Journal of chemical information and modeling, 2021-07, Vol.61 (7), p.3159-3165

2021

Volltextzugriff (PDF)

Effect of Strong Electric Field on the Conformational Integrity of Insulin

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2014-10, Vol.118 (39), p.8942-8952

2014

Volltextzugriff (PDF)

Comprehensive Evaluation of End-Point Free Energy Techniques in Carboxylated-Pillar[6]arene Host-Guest Binding: III. Force-Field Comparison, Three-Trajectory Realization and Further Dielectric Augmentation

Molecules (Basel, Switzerland), 2023-03, Vol.28 (6), p.2767

2023

Volltextzugriff (PDF)

Metal doped armchair graphene nanoribbons: electronic structure, carrier mobility and device properties

Physical chemistry chemical physics : PCCP, 2019-01, Vol.21 (4), p.183-184

2019

Volltextzugriff (PDF)

Electrostatically Embedded Generalized Molecular Fractionation with Conjugate Caps Method for Full Quantum Mechanical Calculation of Protein Energy

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2013-08, Vol.117 (32), p.7149-7161

2013

Volltextzugriff (PDF)

Spin filter effects in zigzag-edge graphene nanoribbons with symmetric and asymmetric edge hydrogenations

Carbon (New York), 2014-01, Vol.66, p.646-653

2014

Volltextzugriff (PDF)

Very high external quantum efficiency and wall-plug efficiency 527 nm InGaN green LEDs by MOCVD

Optics express, 2018-12, Vol.26 (25), p.33108-33115

2018

Volltextzugriff (PDF)

1 – 25 von 12.915

Suche als RSS-Feed

Suchergebnisse filtern

Filter anzeigen

Nur zeigen

Geprüft (Peer-Review)
(10.824)
Mit Volltextzugriff
(10.784)

Publikationsform

2 weitere anzeigen...

Weniger anzeigen...

Sprache

4 weitere anzeigen...

Weniger anzeigen...

Erscheinungsjahr

n.n

Thema

Science & Technology
(9.616)
Physical Sciences
(4.788)
Technology
(3.467)
Life Sciences & Biomedicine
(3.076)
Physics
(3.074)
Exact Sciences And Technology
(2.189)
Materials Science
(1.890)
Humans
(1.855)
Chemistry
(1.693)
Materials Science, Multidisciplinary
(1.494)
Engineering
(1.192)
Physics, Applied
(1.167)
Male
(1.119)
Animals
(1.101)
Female
(1.058)
Applied Sciences
(975)
Biological And Medical Sciences
(928)
Chemistry, Physical
(777)
Physics, Condensed Matter
(622)
Adult
(575)

15 weitere anzeigen...

Weniger anzeigen...

Kollektion

Ingenta
(5.096)
MEDLINE
(3.296)
EZB Electronic Journals Library
(3.209)
Elsevier ScienceDirect Journals Complete
(3.071)
Elsevier Journal Backfiles on ScienceDirect (DFG Nationallizenzen)
(1.850)
NUS Single-Journal Subscriptions
(1.398)
Journals@Ovid Full Text
(1.377)
IngentaConnect Journals
(1.368)
SpringerLink E-Journals
(1.227)
Wiley Online Library All Journals
(1.142)
Wiley Online Library Full Collection 2018
(816)
SpringerLINK Contemporary (Konsortium Baden-Württemberg)
(782)
IEEE Electronic Library (IEL)
(690)
AIP Journals
(625)
American Physical Society Journals
(576)
Taylor & Francis Journals Auto-Holdings Collection
(485)
Taylor & Francis:Master (3349 titles)
(432)
Taylor & Francis
(403)
PROLA - Physical Review Online Archive
(376)
Oxford Journals Online Current
(247)

15 weitere anzeigen...

Weniger anzeigen...

Neu hinzugefügt

Menü

Weitere Dienste

Einstellungen

Complex reaction processes in combustion unraveled by neural network-based molecular dynamics simulation

DeepBSPa Machine Learning Method for Accurate Prediction of Protein–Ligand Docking Structures

ReacNetGenerator: an automatic reaction network generator for reactive molecular dynamics simulations

Anchor-Locker Binding Mechanism of the Coronavirus Spike Protein to Human ACE2: Insights from Computational Analysis

HergSPred: Accurate Classification of hERG Blockers/Nonblockers with Machine-Learning Models

Density Functional Theory Calculations for the Quantum Capacitance Performance of Graphene-Based Electrode Material

End-Point Binding Free Energy Calculation with MM/PBSA and MM/GBSA: Strategies and Applications in Drug Design

Accurate and Efficient Calculation of Protein–Protein Binding Free Energy-Interaction Entropy with Residue Type-Specific Dielectric Constants

DeepBindGCN: Integrating Molecular Vector Representation with Graph Convolutional Neural Networks for Protein-Ligand Interaction Prediction

Protein–Ligand Empirical Interaction Components for Virtual Screening

HobPre: accurate prediction of human oral bioavailability for small molecules

Probiotic Bacillus subtilis 29,784 improved weight gain and enhanced gut health status of broilers under necrotic enteritis condition

Comparison of full-mouth disinfection and quadrant-wise scaling in the treatment of adult chronic periodontitis: a systematic review and meta-analysis

LincHOTAIR epigenetically silences miR34a by binding to PRC2 to promote the epithelial-to-mesenchymal transition in human gastric cancer

An Efficient Approach to the Accurate Prediction of Mutational Effects in Antigen Binding to the MHC1

Entropic effect and residue specific entropic contribution to the cooperativity in streptavidin-biotin binding

Electronic structure and magnetic properties of penta-graphene nanoribbons

Assessing the performance of MM/PBSA and MM/GBSA methods. 7. Entropy effects on the performance of end-point binding free energy calculation approaches

MolGpka: A Web Server for Small Molecule pKa Prediction Using a Graph-Convolutional Neural Network

Effect of Strong Electric Field on the Conformational Integrity of Insulin

Comprehensive Evaluation of End-Point Free Energy Techniques in Carboxylated-Pillar[6]arene Host-Guest Binding: III. Force-Field Comparison, Three-Trajectory Realization and Further Dielectric Augmentation

Metal doped armchair graphene nanoribbons: electronic structure, carrier mobility and device properties

Electrostatically Embedded Generalized Molecular Fractionation with Conjugate Caps Method for Full Quantum Mechanical Calculation of Protein Energy

Spin filter effects in zigzag-edge graphene nanoribbons with symmetric and asymmetric edge hydrogenations

Very high external quantum efficiency and wall-plug efficiency 527 nm InGaN green LEDs by MOCVD

Suchergebnisse filtern