(Q28655467)

21 June 2017

title

The future of crystallography in drug discovery (English)

1 reference

21 June 2017

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1 reference

5

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Alexander Wlodawer

series ordinal

4

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Matthew D Zimmerman

object named as

Matthew D Zimmerman

series ordinal

3

0 references

Heping Zheng

series ordinal

1

object named as

Heping Zheng

1 reference

21 June 2017

Jing Hou

2

1 reference

21 June 2017

language of work or name

English

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publication date

28 December 2013

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Expert Opinion on Drug Discovery

21 June 2017

published in

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21 June 2017

volume

9

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21 June 2017

issue

2

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21 June 2017

page(s)

125-137

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Structural, functional, and inhibition studies of a Gcn5-related N-acetyltransferase (GNAT) superfamily protein PA4794: a new C-terminal lysine protein acetyltransferase from pseudomonas aeruginosa

21 June 2017

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17 March 2017

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17 March 2017

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17 March 2017

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Linking Crystallographic Model and Data Quality

17 March 2017

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17 March 2017

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X-ray crystallography: Assessment and validation of protein-small molecule complexes for drug discovery

17 March 2017

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Benefits of structural genomics for drug discovery research

17 March 2017

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big data: The future of biocuration

17 March 2017

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17 March 2017

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Conformational flexibility in mammalian 15S-lipoxygenase: Reinterpretation of the crystallographic data

17 March 2017

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17 March 2017

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Structure-based activity prediction for an enzyme of unknown function

17 March 2017

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17 March 2017

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Optimal description of a protein structure in terms of multiple groups undergoing TLS motion

17 March 2017

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Stereochemistry of polypeptide chain configurations

17 March 2017

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alpha-Lactalbumin (LA) stimulates milk beta-1,4-galactosyltransferase I (beta 4Gal-T1) to transfer glucose from UDP-glucose to N-acetylglucosamine. Crystal structure of beta 4Gal-T1 x LA complex with UDP-Glc

17 March 2017

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The structure of mammalian 15-lipoxygenase reveals similarity to the lipases and the determinants of substrate specificity

17 March 2017

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Data management in the modern structural biology and biomedical research environment

17 March 2017

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Validation of metal-binding sites in macromolecular structures with the CheckMyMetal web server.

9 May 2017

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The quality and validation of structures from structural genomics

3 June 2018

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Protein crystallography for aspiring crystallographers or how to avoid pitfalls and traps in macromolecular structure determination

3 June 2018

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How community has shaped the Protein Data Bank

3 June 2018

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Ligand docking simulations by generalized-ensemble algorithms

3 June 2018

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The good, the bad and the dubious: VHELIBS, a validation helper for ligands and binding sites

3 June 2018

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'Big data', Hadoop and cloud computing in genomics

3 June 2018

1 reference

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Unleashing the power of meta-threading for evolution/structure-based function inference of proteins

3 June 2018

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Advances, interactions, and future developments in the CNS, Phenix, and Rosetta structural biology software systems

3 June 2018

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Visualizing ligand molecules in Twilight electron density

3 June 2018

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Accounting for receptor flexibility and enhanced sampling methods in computer-aided drug design

3 June 2018

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The future of virtual compound screening

3 June 2018

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Advances in the prediction of protein-peptide binding affinities: implications for peptide-based drug discovery

3 June 2018

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Role of computational methods in pharmaceutical sciences

3 June 2018

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Recent advances in neuraminidase inhibitor development as anti-influenza drugs

3 June 2018

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Modeling anti-HIV compounds: the role of analogue-based approaches

3 June 2018

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Fragment-based approaches in drug discovery and chemical biology

3 June 2018

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PDB_REDO: constructive validation, more than just looking for errors

3 June 2018

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To B or not to B: a question of resolution?

3 June 2018

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Chemoinformatics: a view of the field and current trends in method development

3 June 2018

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Recognizing pitfalls in virtual screening: a critical review

3 June 2018

1 reference

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Current trends in virtual high throughput screening using ligand-based and structure-based methods.

3 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4106240

Unmet challenges of structural genomics

3 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4106240

Biophysical investigations of complement receptor 2 (CD21 and CR2)-ligand interactions reveal amino acid contacts unique to each receptor-ligand pair

3 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4106240

Diffraction data analysis in the presence of radiation damage

3 June 2018

1 reference

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High-throughput crystallography for structural genomics

3 June 2018

1 reference

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Recent advances in computer-aided drug design

3 June 2018

1 reference

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Intra and inter-molecular communications through protein structure network.

3 June 2018

1 reference

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Limitations and lessons in the use of X-ray structural information in drug design

3 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4106240

Data mining of metal ion environments present in protein structures

3 June 2018

1 reference

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Predicting protein function from sequence and structure

3 June 2018

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Protein crystallography for non-crystallographers, or how to get the best (but not more) from published macromolecular structures.

3 June 2018

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https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4106240

Molecular crowding inhibits intramolecular breathing motions in proteins.

3 June 2018

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Mutation in the loop C-terminal to the cyclophilin A binding site of HIV-1 capsid protein disrupts proper virus assembly and infectivity

3 June 2018

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Structure of acyl carrier protein bound to FabI, the FASII enoyl reductase from Escherichia coli

3 June 2018

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The advantages and limitations of protein crystal structures.

3 June 2018

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Pursuing the leadlikeness concept in pharmaceutical research.

3 June 2018

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https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4106240

Application and limitations of X-ray crystallographic data in structure-based ligand and drug design

3 June 2018

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https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4106240

Rational approach to AIDS drug design through structural biology

3 June 2018

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The rational design of trypanocidal drugs: selective inhibition of the glyceraldehyde-3-phosphate dehydrogenase in Trypanosomatidae

3 June 2018

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Techniques, tools and best practices for ligand electron-density analysis and results from their application to deposited crystal structures

3 June 2018

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https://api.crossref.org/works/10.1517%2F17460441.2014.872623

MAD data collection - current trends.

21 January 2018

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https://api.crossref.org/works/10.1517%2F17460441.2014.872623

Accurate bond and angle parameters for X-ray protein structure refinement

21 January 2018

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https://api.crossref.org/works/10.1517%2F17460441.2014.872623

Expectation bias and information content

21 January 2018

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https://api.crossref.org/works/10.1517%2F17460441.2014.872623

Crystal contacts as nature's docking solutions

21 January 2018

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https://api.crossref.org/works/10.1517%2F17460441.2014.872623

Automated docking to multiple target structures: incorporation of protein mobility and structural water heterogeneity in AutoDock

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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https://api.crossref.org/works/10.1517%2F17460441.2014.872623

Measurement errors and their consequences in protein crystallography

21 January 2018

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Between objectivity and subjectivity

21 January 2018

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https://api.crossref.org/works/10.1517%2F17460441.2014.872623

Challenges in the determination of the binding modes of non-standard ligands in X-ray crystal complexes

21 January 2018

1 reference

PubMed

https://pubmed.ncbi.nlm.nih.gov/24372145

inferred from PubMed ID database lookup

12 December 2020

based on heuristic

Identifiers

DOI

10.1517/17460441.2014.872623

1 reference

21 June 2017

0 references

1 reference