UB Paderborn / Katalog / Suche / in CDI

1 – 25 von 91.593

Sortiert nach

Markov State Models: From an Art to a Science

Journal of the American Chemical Society, 2018-02, Vol.140 (7), p.2386-2396

2018

Volltextzugriff (PDF)

Selected Copper‐Based Reactions for C−N, C−O, C−S, and C−C Bond Formation

Angewandte Chemie International Edition, 2017-12, Vol.56 (51), p.16136-16179

International ed. in English, 2017

Volltextzugriff (PDF)

Automated design of collective variables using supervised machine learning

The Journal of chemical physics, 2018-09, Vol.149 (9), p.094106-094106

2018

Volltextzugriff (PDF)

A tunable azine covalent organic framework platform for visible light-induced hydrogen generation

Nature communications, 2015-09, Vol.6 (1), p.8508-8508, Article 8508

2015

Volltextzugriff (PDF)

Variational cross-validation of slow dynamical modes in molecular kinetics

The Journal of chemical physics, 2015-03, Vol.142 (12), p.124105-124105

2015

Volltextzugriff (PDF)

Building Force Fields: An Automatic, Systematic, and Reproducible Approach

The journal of physical chemistry letters, 2014-06, Vol.5 (11), p.1885-1891

2014

Volltextzugriff (PDF)

Making the climate crisis personal through a focus on human health

Climatic change, 2021-06, Vol.166 (3-4), p.43-43, Article 43

Limaye, Vijay S.

2021

Volltextzugriff (PDF)

Activation pathway of Src kinase reveals intermediate states as targets for drug design

Nature communications, 2014-03, Vol.5 (1), p.3397-3397, Article 3397

2014

Volltextzugriff (PDF)

Soft Photocatalysis: Organic Polymers for Solar Fuel Production

Chemistry of materials, 2016-08, Vol.28 (15), p.5191-5204

2016

Volltextzugriff (PDF)

MDTraj: A Modern Open Library for the Analysis of Molecular Dynamics Trajectories

Biophysical journal, 2015-10, Vol.109 (8), p.1528-1532

2015

Volltextzugriff (PDF)

OpenMM 7: Rapid development of high performance algorithms for molecular dynamics

PLoS computational biology, 2017-07, Vol.13 (7), p.e1005659-e1005659

2017

Volltextzugriff (PDF)

Can Left Atrial Enlargement Be Estimated From the Electrocardiogram? An Artificial Intelligence Approach to Screening Risk of Atrial Fibrillation and Heart Disease

Canadian journal of cardiology, 2024-04, Vol.40 (4), p.595-597

Chauhan, Vijay S.

2024

Volltextzugriff (PDF)

Hierarchical coating of MnO2 nanosheets on ZnCo2O4 nanoflakes for enhanced electrochemical performance of asymmetric supercapacitors

Electrochimica acta, 2018-05, Vol.271, p.284-296

2018

Volltextzugriff (PDF)

Improvement in ADMET Prediction with Multitask Deep Featurization

Journal of medicinal chemistry, 2020-08, Vol.63 (16), p.8835-8848

2020

Volltextzugriff (PDF)

Exploiting Noncovalent Interactions in an Imine-Based Covalent Organic Framework for Quercetin Delivery

Advanced materials (Weinheim), 2016-10, Vol.28 (39), p.8749-8754

2016

Volltextzugriff (PDF)

A Framework for Assessing the Effects of Climate Change on Dementia Risk and Burden

The Gerontologist, 2024-03, Vol.64 (3)

2024

Volltextzugriff (PDF)

To milliseconds and beyond: challenges in the simulation of protein folding

Current opinion in structural biology, 2013-02, Vol.23 (1), p.58-65

2013

Volltextzugriff (PDF)

Structures and organization of adenovirus cement proteins provide insights into the role of capsid maturation in virus entry and infection

Proceedings of the National Academy of Sciences - PNAS, 2014-08, Vol.111 (32), p.11715-11720

2014

Volltextzugriff (PDF)

Everything you wanted to know about Markov State Models but were afraid to ask

Methods (San Diego, Calif.), 2010-09, Vol.52 (1), p.99-105

2010

Volltextzugriff (PDF)

Porous sulphur copolymer for gas-phase mercury removal and thermal insulation

Chemical engineering journal (Lausanne, Switzerland : 1996), 2018-01, Vol.332, p.1-7

2018

Volltextzugriff (PDF)

Interfacial growth of the optimal BiVO4 nanoparticles onto self-assembled WO3 nanoplates for efficient photoelectrochemical water splitting

Journal of colloid and interface science, 2019-12, Vol.557, p.478-487

2019

Volltextzugriff (PDF)

CHARMM-GUI Input Generator for NAMD, GROMACS, AMBER, OpenMM, and CHARMM/OpenMM Simulations Using the CHARMM36 Additive Force Field

Journal of chemical theory and computation, 2016-01, Vol.12 (1), p.405-413

2016

Volltextzugriff (PDF)

N,N′‑Bisoxalamides Enhance the Catalytic Activity in Cu-Catalyzed Coupling of (Hetero)Aryl Bromides with Anilines and Secondary Amines

Journal of organic chemistry, 2017-12, Vol.82 (23), p.12603-12612

2017

Volltextzugriff (PDF)

Modeling Molecular Kinetics with tICA and the Kernel Trick

Journal of chemical theory and computation, 2015-02, Vol.11 (2), p.600-608

2015

Volltextzugriff (PDF)

Building a More Predictive Protein Force Field: A Systematic and Reproducible Route to AMBER-FB15

The journal of physical chemistry. B, 2017-04, Vol.121 (16), p.4023-4039

2017

Volltextzugriff (PDF)

1 – 25 von 91.593

Suche als RSS-Feed

Suchergebnisse filtern

Filter anzeigen

Nur zeigen

Geprüft (Peer-Review)
(59.738)
Mit Volltextzugriff
(81.348)

Publikationsform

10 weitere anzeigen...

Weniger anzeigen...

Sprache

15 weitere anzeigen...

Weniger anzeigen...

Erscheinungsjahr

n.n

Thema

Science & Technology
(45.414)
Life Sciences & Biomedicine
(24.507)
Technology
(15.378)
Humans
(13.324)
Physical Sciences
(10.819)
Engineering
(7.988)
Male
(6.574)
Female
(6.220)
Computer Science
(5.511)
Chemistry
(5.058)
Engineering, Electrical & Electronic
(4.516)
Animals
(4.431)
Biological And Medical Sciences
(3.701)
Materials Science
(3.690)
Adult
(3.627)
Middle Aged
(3.507)
Physics
(3.293)
Exact Sciences And Technology
(3.057)
Medical Sciences
(2.670)
Science & Technology - Other Topics
(2.579)

15 weitere anzeigen...

Weniger anzeigen...

Kollektion

Ingenta
(31.378)
EZB Electronic Journals Library
(30.726)
MEDLINE
(18.037)
RCN full-text journals@Ovid
(15.281)
Ebook Central Perpetual and DDA
(14.631)
eBooks on EBSCOhost
(13.868)
IngentaConnect Journals
(13.379)
Access via ScienceDirect (Elsevier)
(12.977)
IEL
(8.543)
Publisher or Other Site
(8.502)
Elsevier Journal Backfiles on ScienceDirect (DFG Nationallizenzen)
(7.654)
Wiley Online Library Journals
(7.237)
Springer journals
(7.049)
Wiley Online Library
(4.601)
SpringerLINK Contemporary (Konsortium Baden-Württemberg)
(4.474)
Taylor & Francis
(2.472)
Access via Taylor & Francis
(2.343)
Taylor & Francis Online
(2.342)
JSTOR All Journals
(2.019)
Taylor & Francis eBooks A-Z
(1.961)

15 weitere anzeigen...

Weniger anzeigen...

Zeitschrift / Serie

5 weitere anzeigen...

Weniger anzeigen...

Neu hinzugefügt

Menü

Weitere Dienste

Einstellungen

Markov State Models: From an Art to a Science

Selected Copper‐Based Reactions for C−N, C−O, C−S, and C−C Bond Formation

Automated design of collective variables using supervised machine learning

A tunable azine covalent organic framework platform for visible light-induced hydrogen generation

Variational cross-validation of slow dynamical modes in molecular kinetics

Building Force Fields: An Automatic, Systematic, and Reproducible Approach

Making the climate crisis personal through a focus on human health

Activation pathway of Src kinase reveals intermediate states as targets for drug design

Soft Photocatalysis: Organic Polymers for Solar Fuel Production

MDTraj: A Modern Open Library for the Analysis of Molecular Dynamics Trajectories

OpenMM 7: Rapid development of high performance algorithms for molecular dynamics

Can Left Atrial Enlargement Be Estimated From the Electrocardiogram? An Artificial Intelligence Approach to Screening Risk of Atrial Fibrillation and Heart Disease

Hierarchical coating of MnO2 nanosheets on ZnCo2O4 nanoflakes for enhanced electrochemical performance of asymmetric supercapacitors

Improvement in ADMET Prediction with Multitask Deep Featurization

Exploiting Noncovalent Interactions in an Imine-Based Covalent Organic Framework for Quercetin Delivery

A Framework for Assessing the Effects of Climate Change on Dementia Risk and Burden

To milliseconds and beyond: challenges in the simulation of protein folding

Structures and organization of adenovirus cement proteins provide insights into the role of capsid maturation in virus entry and infection

Everything you wanted to know about Markov State Models but were afraid to ask

Porous sulphur copolymer for gas-phase mercury removal and thermal insulation

Interfacial growth of the optimal BiVO4 nanoparticles onto self-assembled WO3 nanoplates for efficient photoelectrochemical water splitting

CHARMM-GUI Input Generator for NAMD, GROMACS, AMBER, OpenMM, and CHARMM/OpenMM Simulations Using the CHARMM36 Additive Force Field

N,N′‑Bisoxalamides Enhance the Catalytic Activity in Cu-Catalyzed Coupling of (Hetero)Aryl Bromides with Anilines and Secondary Amines

Modeling Molecular Kinetics with tICA and the Kernel Trick

Building a More Predictive Protein Force Field: A Systematic and Reproducible Route to AMBER-FB15

Suchergebnisse filtern