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...

Improving Docking-Based Virtual Screening Ability by Integrating Multiple Energy Auxiliary Terms from Molecular Docking Scoring

Journal of chemical information and modeling, 2020-09, Vol.60 (9), p.4216-4230

2020

Volltextzugriff (PDF)

Current advances in ligand‐based target prediction

Wiley interdisciplinary reviews. Computational molecular science, 2021-05, Vol.11 (3), p.e1504-n/a

2021

Volltextzugriff (PDF)

Improving structure-based virtual screening performance via learning from scoring function components

Briefings in bioinformatics, 2021-05, Vol.22 (3)

2021

Volltextzugriff (PDF)

Comprehensive assessment of nine target prediction web services: which should we choose for target fishing?

Briefings in bioinformatics, 2023-03, Vol.24 (2)

2023

Volltextzugriff (PDF)

ABC-Net: a divide-and-conquer based deep learning architecture for SMILES recognition from molecular images

Briefings in bioinformatics, 2022-03, Vol.23 (2)

2022

Volltextzugriff (PDF)

Machine learning to predict metabolic drug interactions related to cytochrome P450 isozymes

Journal of cheminformatics, 2022-04, Vol.14 (1), p.23-23, Article 23

2022

Volltextzugriff (PDF)

BioMedR: an R/CRAN package for integrated data analysis pipeline in biomedical study

Briefings in bioinformatics, 2021-01, Vol.22 (1), p.474-484

2021

Volltextzugriff (PDF)

ChemFLuo: a web-server for structure analysis and identification of fluorescent compounds

Briefings in bioinformatics, 2021-07, Vol.22 (4)

2021

Volltextzugriff (PDF)

Semi-automated workflow for molecular pair analysis and QSAR-assisted transformation space expansion

Journal of cheminformatics, 2021-11, Vol.13 (1), p.86-86, Article 86

2021

Volltextzugriff (PDF)

Exploring the RNA‐bound and RNA‐free human Argonaute‐2 by molecular dynamics simulation method

Chemical biology & drug design, 2017-11, Vol.90 (5), p.753-763

2017

Volltextzugriff (PDF)

Discovery of novel antagonists targeting the DNA binding domain of androgen receptor by integrated docking-based virtual screening and bioassays

Acta pharmacologica Sinica, 2022-01, Vol.43 (1), p.229-239

2022

Volltextzugriff (PDF)

In-silico target prediction by ensemble chemogenomic model based on multi-scale information of chemical structures and protein sequences

Journal of cheminformatics, 2023-04, Vol.15 (1), p.48-48, Article 48

2023

Volltextzugriff (PDF)

Pushing the Boundaries of Molecular Property Prediction for Drug Discovery with Multitask Learning BERT Enhanced by SMILES Enumeration

Research (Washington), 2022, Vol.2022, p.0004

2022

Volltextzugriff (PDF)

Unraveling the Allosteric Inhibition Mechanism of PTP1B by Free Energy Calculation Based on Umbrella Sampling

Journal of chemical information and modeling, 2013-05, Vol.53 (5), p.1157-1167

2013

Volltextzugriff (PDF)

MG-BERT: leveraging unsupervised atomic representation learning for molecular property prediction

Briefings in bioinformatics, 2021-11, Vol.22 (6)

2021

Volltextzugriff (PDF)

Frequent hitters: nuisance artifacts in high-throughput screening

Drug discovery today, 2020-04, Vol.25 (4), p.657-667

2020

Volltextzugriff (PDF)

Application of Negative Design To Design a More Desirable Virtual Screening Library

Journal of medicinal chemistry, 2020-05, Vol.63 (9), p.4411-4429

2020

Volltextzugriff (PDF)

Structural Analysis and Identification of Colloidal Aggregators in Drug Discovery

Journal of chemical information and modeling, 2019-09, Vol.59 (9), p.3714-3726

2019

Volltextzugriff (PDF)

Structural Analysis and Prediction of Hematotoxicity Using Deep Learning Approaches

Journal of chemical information and modeling, 2023-01, Vol.63 (1), p.111-125

2023

Volltextzugriff (PDF)

Learning to SMILES: BAN-based strategies to improve latent representation learning from molecules

Briefings in bioinformatics, 2021-11, Vol.22 (6)

2021

Volltextzugriff (PDF)

Benchmarking the mechanisms of frequent hitters: limitation of PAINS alerts

Drug discovery today, 2021-06, Vol.26 (6), p.1353-1358

2021

Volltextzugriff (PDF)

Peptide-Tethered Hydrogel Scaffold Promotes Recovery from Spinal Cord Transection via Synergism with Mesenchymal Stem Cells

ACS applied materials & interfaces, 2017-02, Vol.9 (4), p.3330-3342

2017

Volltextzugriff (PDF)

Scopy: an integrated negative design python library for desirable HTS/VS database design

Briefings in bioinformatics, 2021-05, Vol.22 (3)

2021

Volltextzugriff (PDF)

Systematic Modeling of log D7.4 Based on Ensemble Machine Learning, Group Contribution, and Matched Molecular Pair Analysis

Journal of chemical information and modeling, 2020-01, Vol.60 (1), p.63

2020

Volltextzugriff (PDF)

Computational Bioactivity Fingerprint Similarities To Navigate the Discovery of Novel Scaffolds

Journal of medicinal chemistry, 2021-06, Vol.64 (11), p.7544-7554

2021

Volltextzugriff (PDF)

1 – 25 von 845

Suche als RSS-Feed

Suchergebnisse filtern

Filter anzeigen

Nur zeigen

Geprüft (Peer-Review)
(685)
Mit Volltextzugriff
(744)

Publikationsform

Sprache

Erscheinungsjahr

n.n

Thema

Science & Technology
(553)
Life Sciences & Biomedicine
(323)
Physical Sciences
(206)
Chemistry
(156)
Humans
(149)
Technology
(92)
Chemistry, Multidisciplinary
(88)
Animals
(79)
Male
(76)
Female
(74)
Pharmacology & Pharmacy
(54)
Materials Science
(53)
Science & Technology - Other Topics
(52)
Biochemistry & Molecular Biology
(51)
Mice
(47)
Adult
(44)
Materials Science, Multidisciplinary
(43)
Middle Aged
(43)
Oncology
(42)
Apoptosis
(38)

15 weitere anzeigen...

Weniger anzeigen...

Zeitschrift / Serie

5 weitere anzeigen...

Weniger anzeigen...

Neu hinzugefügt

Menü

Weitere Dienste

Einstellungen

Improving Docking-Based Virtual Screening Ability by Integrating Multiple Energy Auxiliary Terms from Molecular Docking Scoring

Current advances in ligand‐based target prediction

Improving structure-based virtual screening performance via learning from scoring function components

Comprehensive assessment of nine target prediction web services: which should we choose for target fishing?

ABC-Net: a divide-and-conquer based deep learning architecture for SMILES recognition from molecular images

Machine learning to predict metabolic drug interactions related to cytochrome P450 isozymes

BioMedR: an R/CRAN package for integrated data analysis pipeline in biomedical study

ChemFLuo: a web-server for structure analysis and identification of fluorescent compounds

Semi-automated workflow for molecular pair analysis and QSAR-assisted transformation space expansion

Exploring the RNA‐bound and RNA‐free human Argonaute‐2 by molecular dynamics simulation method

Discovery of novel antagonists targeting the DNA binding domain of androgen receptor by integrated docking-based virtual screening and bioassays

In-silico target prediction by ensemble chemogenomic model based on multi-scale information of chemical structures and protein sequences

Pushing the Boundaries of Molecular Property Prediction for Drug Discovery with Multitask Learning BERT Enhanced by SMILES Enumeration

Unraveling the Allosteric Inhibition Mechanism of PTP1B by Free Energy Calculation Based on Umbrella Sampling

MG-BERT: leveraging unsupervised atomic representation learning for molecular property prediction

Frequent hitters: nuisance artifacts in high-throughput screening

Application of Negative Design To Design a More Desirable Virtual Screening Library

Structural Analysis and Identification of Colloidal Aggregators in Drug Discovery

Structural Analysis and Prediction of Hematotoxicity Using Deep Learning Approaches

Learning to SMILES: BAN-based strategies to improve latent representation learning from molecules

Benchmarking the mechanisms of frequent hitters: limitation of PAINS alerts

Peptide-Tethered Hydrogel Scaffold Promotes Recovery from Spinal Cord Transection via Synergism with Mesenchymal Stem Cells

Scopy: an integrated negative design python library for desirable HTS/VS database design

Systematic Modeling of log D7.4 Based on Ensemble Machine Learning, Group Contribution, and Matched Molecular Pair Analysis

Computational Bioactivity Fingerprint Similarities To Navigate the Discovery of Novel Scaffolds

Suchergebnisse filtern