(Q42732662)

6 November 2017

0 references

Protein-ligand cocrystal structures: we can do better (English)

1 reference

6 November 2017

1 reference

Charles H Reynolds

1

1 reference

6 November 2017

2 June 2014

1 reference

ACS Medicinal Chemistry Letters

6 November 2017

1 reference

6 November 2017

5

1 reference

6 November 2017

7

1 reference

6 November 2017

727-729

1 reference

Accurate macromolecular crystallographic refinement: incorporation of the linear scaling, semiempirical quantum-mechanics program DivCon into the PHENIX refinement package

6 November 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4094245

Significant reduction in errors associated with nonbonded contacts in protein crystal structures: automated all-atom refinement with PrimeX.

27 May 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4094245

The good, the bad and the twisted: a survey of ligand geometry in protein crystal structures.

27 May 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4094245

Reintroducing Electrostatics into Macromolecular Crystallographic Refinement: Application to Neutron Crystallography and DNA Hydration

27 May 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4094245

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

27 May 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4094245

Automated ligand placement and refinement with a combined force field and shape potential.

27 May 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4094245

Conformational analysis of drug-like molecules bound to proteins: an extensive study of ligand reorganization upon binding

16 August 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4094245

PDB ligand conformational energies calculated quantum-mechanically

16 August 2018

1 reference

PubMed

https://pubmed.ncbi.nlm.nih.gov/25050154

inferred from PubMed ID database lookup

12 December 2020

based on heuristic

Conformational changes of small molecules binding to proteins

1 reference

PubMed

https://pubmed.ncbi.nlm.nih.gov/25050154

inferred from PubMed ID database lookup

12 December 2020

based on heuristic

Identifiers

DOI

10.1021/ML500220A

1 reference

6 November 2017

1 reference

PMC publication ID

4094245

6 November 2017

PubMed publication ID

25050154

1 reference

PMC publication ID

4094245