(Q38088365)

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:23480542%20AND%20SRC:MED&resulttype=core&format=json

25 February 2020

title

High-throughput and in silico screenings in drug discovery (English)

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:23480542%20AND%20SRC:MED&resulttype=core&format=json

25 February 2020

0 references

1 reference

1 reference

3

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https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:23480542%20AND%20SRC:MED&resulttype=core&format=json

25 February 2020

author name string

Sharangdhar S Phatak

series ordinal

1

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https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:23480542%20AND%20SRC:MED&resulttype=core&format=json

25 February 2020

Clifford C Stephan

series ordinal

2

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:23480542%20AND%20SRC:MED&resulttype=core&format=json

25 February 2020

language of work or name

English

0 references

publication date

1 September 2009

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:23480542%20AND%20SRC:MED&resulttype=core&format=json

Expert Opinion on Drug Discovery

25 February 2020

published in

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:23480542%20AND%20SRC:MED&resulttype=core&format=json

25 February 2020

volume

4

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:23480542%20AND%20SRC:MED&resulttype=core&format=json

25 February 2020

issue

9

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https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:23480542%20AND%20SRC:MED&resulttype=core&format=json

25 February 2020

page(s)

947-959

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https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:23480542%20AND%20SRC:MED&resulttype=core&format=json

Drug discovery: a historical perspective

25 February 2020

cites work

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The future of high-throughput screening

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Emerging trends in high-throughput screening

21 January 2018

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Hit discovery and hit-to-lead approaches

21 January 2018

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Design of a compound screening collection for use in high throughput screening

21 January 2018

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How large does a compound screening collection need to be?

21 January 2018

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Enhancing drug discovery through in silico screening: strategies to increase true positives retrieval rates.

21 January 2018

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Ligand docking and structure-based virtual screening in drug discovery

21 January 2018

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Theoretical and practical considerations in virtual screening: a beaten field?

21 January 2018

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Integration of virtual and high-throughput screening

21 January 2018

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Streamlining lead discovery by aligning in silico and high-throughput screening

21 January 2018

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Virtual screening and its integration with modern drug design technologies.

21 January 2018

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Virtual ligand screening: strategies, perspectives and limitations

21 January 2018

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High-throughput screening: update on practices and success

21 January 2018

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Finishing the euchromatic sequence of the human genome

21 January 2018

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How many drug targets are there?

21 January 2018

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Statistical practice in high-throughput screening data analysis

21 January 2018

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Predicting protein druggability

21 January 2018

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Experimental and computational approaches to estimate solubility and permeability in drug discovery and development settings

21 January 2018

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Successful virtual screening for a submicromolar antagonist of the neurokinin-1 receptor based on a ligand-supported homology model

21 January 2018

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Discovery of novel chemotypes to a G-protein-coupled receptor through ligand-steered homology modeling and structure-based virtual screening.

21 January 2018

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Discovery of a potent CDK2 inhibitor with a novel binding mode, using virtual screening and initial, structure-guided lead scoping

21 January 2018

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Identification of 1,2,3,4,5,6-hexabromocyclohexane as a small molecule inhibitor of jak2 tyrosine kinase autophosphorylation [correction of autophophorylation].

21 January 2018

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Virtual docking approaches to protein kinase B inhibition.

21 January 2018

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In silico identification of novel EGFR inhibitors with antiproliferative activity against cancer cells

21 January 2018

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Identification of novel estrogen receptor alpha antagonists

21 January 2018

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Identification of a Potent and Selective Noncovalent Cathepsin S Inhibitor

21 January 2018

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Application of fragment screening by X-ray crystallography to beta-secretase

21 January 2018

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Discovery of a novel class of reversible non-peptide caspase inhibitors via a structure-based approach

21 January 2018

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Current status of virtual screening as analysed by target class

21 January 2018

1 reference

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Reporting data from high-throughput screening of small-molecule libraries

21 January 2018

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High-throughput screening assays for the identification of chemical probes

21 January 2018

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Scaffold composition and biological relevance of screening libraries.

21 January 2018

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A Simple Statistical Parameter for Use in Evaluation and Validation of High Throughput Screening Assays

21 January 2018

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Using clustering techniques to improve hit selection in high-throughput screening

21 January 2018

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Improved statistical methods for hit selection in high-throughput screening

21 January 2018

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Learning from the data: mining of large high-throughput screening databases

21 January 2018

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Methods for mining HTS data

21 January 2018

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Structural biology and drug discovery

21 January 2018

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Computational chemistry approaches to drug discovery in signal transduction.

21 January 2018

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The many roles of computation in drug discovery

21 January 2018

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Prediction of protein-ligand interactions. Docking and scoring: successes and gaps

21 January 2018

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Virtual screening strategies in drug discovery

21 January 2018

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Docking, virtual high throughput screening and in silico fragment-based drug design

21 January 2018

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Docking and scoring in virtual screening for drug discovery: methods and applications

21 January 2018

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Free resources to assist structure-based virtual ligand screening experiments

21 January 2018

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Homology modeling in drug discovery: current trends and applications

21 January 2018

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Screening drug-like compounds by docking to homology models: a systematic study.

21 January 2018

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Ligand-based drug design methodologies in drug discovery process: an overview

21 January 2018

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On the interpretation and interpretability of quantitative structure-activity relationship models

21 January 2018

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Computational chemistry-driven decision making in lead generation

21 January 2018

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Pocket v.2: further developments on receptor-based pharmacophore modeling.

21 January 2018

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Pharmacophore-based virtual screening

21 January 2018

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Is it possible to increase hit rates in structure-based virtual screening by pharmacophore filtering? An investigation of the advantages and pitfalls of post-filtering.

21 January 2018

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Hot-spots-guided receptor-based pharmacophores (HS-Pharm): a knowledge-based approach to identify ligand-anchoring atoms in protein cavities and prioritize structure-based pharmacophores

21 January 2018

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6-Methoxy-N-alkyl isatin acylhydrazone derivatives as a novel series of potent selective cannabinoid receptor 2 inverse agonists: design, synthesis, and binding mode prediction

21 January 2018

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A fast flexible docking method using an incremental construction algorithm.

21 January 2018

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Incorporating protein flexibility into docking and structure-based drug design.

21 January 2018

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Docking ligands into flexible and solvated macromolecules. 3. Impact of input ligand conformation, protein flexibility, and water molecules on the accuracy of docking programs

21 January 2018

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Effects of protein conformation in docking: improved pose prediction through protein pocket adaptation

21 January 2018

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Managing protein flexibility in docking and its applications

21 January 2018

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Virtual screening of chemical libraries

21 January 2018

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Contribution of conformer focusing to the uncertainty in predicting free energies for protein-ligand binding.

21 January 2018

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Treating entropy and conformational changes in implicit solvent simulations of small molecules

21 January 2018

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A critical assessment of docking programs and scoring functions

21 January 2018

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Cross-docking of inhibitors into CDK2 structures. 1.

21 January 2018

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Scoring functions for protein-ligand docking

21 January 2018

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Protein flexibility in ligand docking and virtual screening to protein kinases.

21 January 2018

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Structure-based virtual screening of chemical libraries for drug discovery

21 January 2018

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Integration of virtual screening with high-throughput flow cytometry to identify novel small molecule formylpeptide receptor antagonists

21 January 2018

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Chemical probes that competitively and selectively inhibit Stat3 activation

21 January 2018

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Discovery strategies in a pharmaceutical setting: the application of computational techniques

21 January 2018

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Strategies for compound selection

21 January 2018

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Structure-based development of target-specific compound libraries

21 January 2018

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Hit and lead generation: beyond high-throughput screening

21 January 2018

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Computer-based de novo design of drug-like molecules

21 January 2018

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Molecular docking and ligand specificity in fragment-based inhibitor discovery

21 January 2018

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A decade of fragment-based drug design: strategic advances and lessons learned

21 January 2018

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Computational techniques in fragment based drug discovery

21 January 2018

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Grid computing in large pharmaceutical molecular modeling

21 January 2018

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Strategies to support drug discovery through integration of systems and data

21 January 2018

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Towards improving compound selection in structure-based virtual screening

21 January 2018

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Inhibitors of dihydrodipicolinate reductase, a key enzyme of the diaminopimelate pathway of Mycobacterium tuberculosis.

21 January 2018

1 reference

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Molecular docking and high-throughput screening for novel inhibitors of protein tyrosine phosphatase-1B.

21 January 2018

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https://api.crossref.org/works/10.1517%2F17460440903190961

Protein protein interaction inhibition (2P2I) combining high throughput and virtual screening: Application to the HIV-1 Nef protein

21 January 2018

1 reference

https://api.crossref.org/works/10.1517%2F17460440903190961

Comparative virtual and experimental high-throughput screening for glycogen synthase kinase-3beta inhibitors

21 January 2018

1 reference

https://api.crossref.org/works/10.1517%2F17460440903190961

Comprehensive Mechanistic Analysis of Hits from High-Throughput and Docking Screens against β-Lactamase

21 January 2018

1 reference

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Toxicology. Transforming environmental health protection

21 January 2018

1 reference

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10.1517/17460440903190961

21 January 2018

Identifiers

DOI

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:23480542%20AND%20SRC:MED&resulttype=core&format=json

25 February 2020

1 reference