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...

Best Practices for QSAR Model Reporting: Physical and Chemical Properties, Ecotoxicity, Environmental Fate, Human Health, and Toxicokinetics Endpoints

Environmental health perspectives, 2018-12, Vol.126 (12), p.126001-126001

2018

Volltextzugriff (PDF)

Hydration Properties of Ligands and Drugs in Protein Binding Sites: Tightly-Bound, Bridging Water Molecules and Their Effects and Consequences on Molecular Design Strategies

Journal of chemical information and modeling, 2013-06, Vol.53 (6), p.1388-1405

García-Sosa, Alfonso T

2013

Volltextzugriff (PDF)

Drug repurposing: a nexus of innovation, science, and potential

Scientific reports, 2023-10, Vol.13 (1), p.17887-17887, Article 17887

2023

Volltextzugriff (PDF)

Androgen Receptor Binding Category Prediction with Deep Neural Networks and Structure-, Ligand-, and Statistically Based Features

Molecules (Basel, Switzerland), 2021-02, Vol.26 (5), p.1285

García-Sosa, Alfonso T

2021

Volltextzugriff (PDF)

Combined Naïve Bayesian, Chemical Fingerprints and Molecular Docking Classifiers to Model and Predict Androgen Receptor Binding Data for Environmentally- and Health-Sensitive Substances

International journal of molecular sciences, 2021-07, Vol.22 (13), p.6695

2021

Volltextzugriff (PDF)

Machine learning, artificial intelligence, and data science breaking into drug design and neglected diseases

Wiley interdisciplinary reviews. Computational molecular science, 2021-09, Vol.11 (5), p.e1513-n/a

2021

Volltextzugriff (PDF)

Natural Variation in Arabidopsis Cvi-0 Accession Reveals an Important Role of MPK12 in Guard Cell CO2 Signaling

PLoS biology, 2016-12, Vol.14 (12), p.e2000322

2016

Volltextzugriff (PDF)

Molecular Dynamics Simulations of the Interactions between Glial Cell Line-Derived Neurotrophic Factor Family Receptor GFRα1 and Small-Molecule Ligands

ACS omega, 2018-09, Vol.3 (9), p.11407-11414

2018

Volltextzugriff (PDF)

DrugLogit: Logistic Discrimination between Drugs and Nondrugs Including Disease-Specificity by Assigning Probabilities Based on Molecular Properties

Journal of chemical information and modeling, 2012-08, Vol.52 (8), p.2165-2180

2012

Volltextzugriff (PDF)

Quinoline‐based thiazolyl‐hydrazones target cancer cells through autophagy inhibition

Archiv der Pharmazie (Weinheim), 2024-02, Vol.357 (2), p.e2300426-n/a

2024

Volltextzugriff (PDF)

Editorial: Multi-Target-Directed Ligands (MTDL) as Challenging Research Tools in Drug Discovery: From Design to Pharmacological Evaluation

Frontiers in chemistry, 2019-02, Vol.7, p.71-71

2019

Volltextzugriff (PDF)

Improving the Use of Ranking in Virtual Screening against HIV‑1 Integrase with Triangular Numbers and Including Ligand Profiling with Antitargets

Journal of chemical information and modeling, 2014-11, Vol.54 (11), p.3172-3185

2014

Volltextzugriff (PDF)

Data Mining and Machine Learning Models for Predicting Drug Likeness and Their Disease or Organ Category

Frontiers in chemistry, 2018-05, Vol.6, p.162-162

2018

Volltextzugriff (PDF)

BRCT Domains: Structure, Functions, and Implications in Disease-New Therapeutic Targets for Innovative Drug Discovery against Infections

Pharmaceutics, 2023-06, Vol.15 (7), p.1839

2023

Volltextzugriff (PDF)

Designing Ligands for Leishmania, Plasmodium, and Aspergillus N-Myristoyl Transferase with Specificity and Anti-Target-Safe Virtual Libraries

Current computer-aided drug design, 2018-01, Vol.14 (2), p.131-141

Garcia-Sosa, Alfonso T.

2018

Volltextzugriff (PDF)

Drug efficiency indices for improvement of molecular docking scoring functions

Journal of computational chemistry, 2010-01, Vol.31 (1), p.174-184

2010

Volltextzugriff (PDF)

Benford's Law and distributions for better drug design

Expert opinion on drug discovery, 2024-02, Vol.19 (2), p.131-137

García-Sosa, Alfonso T

2024

Volltextzugriff (PDF)

Combined Approach Using Ligand Efficiency, Cross-Docking, and Antitarget Hits for Wild-Type and Drug-Resistant Y181C HIV-1 Reverse Transcriptase

Journal of chemical information and modeling, 2011-10, Vol.51 (10), p.2595-2611

2011

Volltextzugriff (PDF)

A Comprehensive Evaluation of Sdox, a Promising H2S-Releasing Doxorubicin for the Treatment of Chemoresistant Tumors

Frontiers in pharmacology, 2022-03, Vol.13, p.831791-831791

2022

Volltextzugriff (PDF)

Design of Multi-Binding-Site Inhibitors, Ligand Efficiency, and Consensus Screening of Avian Influenza H5N1 Wild-Type Neuraminidase and of the Oseltamivir-Resistant H274Y Variant

Journal of Chemical Information and Modeling, 2008-10, Vol.48 (10), p.2074-2080

2008

Volltextzugriff (PDF)

Peptide-Ligand Binding Modeling of siRNA with Cell-Penetrating Peptides

BioMed research international, 2014-01, Vol.2014 (2014), p.1-7

2014

Volltextzugriff (PDF)

Virtual Screening for HIV Protease Inhibitors Using a Novel Database Filtering Procedure

Molecular informatics, 2015-06, Vol.34 (6-7), p.485-492

2015

Volltextzugriff (PDF)

Synthesis of 6'-galactosyllactose, a deviant human milk oligosaccharide, with the aid of Candida antarctica lipase-B

Organic & biomolecular chemistry, 2022-06, Vol.20 (23), p.4724-4735

2022

Volltextzugriff (PDF)

Free Energy Calculations of Mutations Involving a Tightly Bound Water Molecule and Ligand Substitutions in a Ligand-Protein Complex

Molecular informatics, 2010-09, Vol.29 (8-9), p.589-600

2010

Volltextzugriff (PDF)

Disease-Specific Differentiation Between Drugs and Non-Drugs Using Principal Component Analysis of Their Molecular Descriptor Space

Molecular informatics, 2012-05, Vol.31 (5), p.369-383

2012

Volltextzugriff (PDF)

1 – 25 von 77

Suche als RSS-Feed

Suchergebnisse filtern

Filter anzeigen

Nur zeigen

Geprüft (Peer-Review)
(71)
Mit Volltextzugriff
(70)

Publikationsform

Artikel
(76)
Dissertationen
(1)

Sprache

Englisch
(74)
Spanisch
(1)

Erscheinungsjahr

n.n

Thema

Science & Technology
(63)
Life Sciences & Biomedicine
(51)
Chemistry
(40)
Physical Sciences
(38)
Chemistry, Multidisciplinary
(31)
Biochemistry & Molecular Biology
(23)
Pharmacology & Pharmacy
(22)
Humans
(19)
Ligands
(18)
Chemistry, Medicinal
(17)
Computer Science
(17)
Computer Science, Interdisciplinary Applications
(17)
Drug Design
(17)
Proteins
(17)
Technology
(17)
Models, Molecular
(12)
Binding Sites
(11)
Drug Discovery
(11)
Toxicity
(10)
Molecular Docking Simulation
(8)

15 weitere anzeigen...

Weniger anzeigen...

Neu hinzugefügt

... seit 30 Tagen
(1)

Menü

Weitere Dienste

Einstellungen

Best Practices for QSAR Model Reporting: Physical and Chemical Properties, Ecotoxicity, Environmental Fate, Human Health, and Toxicokinetics Endpoints

Hydration Properties of Ligands and Drugs in Protein Binding Sites: Tightly-Bound, Bridging Water Molecules and Their Effects and Consequences on Molecular Design Strategies

Drug repurposing: a nexus of innovation, science, and potential

Androgen Receptor Binding Category Prediction with Deep Neural Networks and Structure-, Ligand-, and Statistically Based Features

Combined Naïve Bayesian, Chemical Fingerprints and Molecular Docking Classifiers to Model and Predict Androgen Receptor Binding Data for Environmentally- and Health-Sensitive Substances

Machine learning, artificial intelligence, and data science breaking into drug design and neglected diseases

Natural Variation in Arabidopsis Cvi-0 Accession Reveals an Important Role of MPK12 in Guard Cell CO2 Signaling

Molecular Dynamics Simulations of the Interactions between Glial Cell Line-Derived Neurotrophic Factor Family Receptor GFRα1 and Small-Molecule Ligands

DrugLogit: Logistic Discrimination between Drugs and Nondrugs Including Disease-Specificity by Assigning Probabilities Based on Molecular Properties

Quinoline‐based thiazolyl‐hydrazones target cancer cells through autophagy inhibition

Editorial: Multi-Target-Directed Ligands (MTDL) as Challenging Research Tools in Drug Discovery: From Design to Pharmacological Evaluation

Improving the Use of Ranking in Virtual Screening against HIV‑1 Integrase with Triangular Numbers and Including Ligand Profiling with Antitargets

Data Mining and Machine Learning Models for Predicting Drug Likeness and Their Disease or Organ Category

BRCT Domains: Structure, Functions, and Implications in Disease-New Therapeutic Targets for Innovative Drug Discovery against Infections

Designing Ligands for Leishmania, Plasmodium, and Aspergillus N-Myristoyl Transferase with Specificity and Anti-Target-Safe Virtual Libraries

Drug efficiency indices for improvement of molecular docking scoring functions

Benford's Law and distributions for better drug design

Combined Approach Using Ligand Efficiency, Cross-Docking, and Antitarget Hits for Wild-Type and Drug-Resistant Y181C HIV-1 Reverse Transcriptase

A Comprehensive Evaluation of Sdox, a Promising H2S-Releasing Doxorubicin for the Treatment of Chemoresistant Tumors

Design of Multi-Binding-Site Inhibitors, Ligand Efficiency, and Consensus Screening of Avian Influenza H5N1 Wild-Type Neuraminidase and of the Oseltamivir-Resistant H274Y Variant

Peptide-Ligand Binding Modeling of siRNA with Cell-Penetrating Peptides

Virtual Screening for HIV Protease Inhibitors Using a Novel Database Filtering Procedure

Synthesis of 6'-galactosyllactose, a deviant human milk oligosaccharide, with the aid of Candida antarctica lipase-B

Free Energy Calculations of Mutations Involving a Tightly Bound Water Molecule and Ligand Substitutions in a Ligand-Protein Complex

Disease-Specific Differentiation Between Drugs and Non-Drugs Using Principal Component Analysis of Their Molecular Descriptor Space

Suchergebnisse filtern