(Q38270145)

1 September 2017

Efficient docking of peptides to proteins without prior knowledge of the binding site (English)

1 reference

1 September 2017

2

David van der Spoel

0 references

author name string

Csaba Hetényi

series ordinal

1

1 reference

1 September 2017

1 July 2002

1 reference

1 September 2017

1 reference

1 September 2017

11

1 reference

1 September 2017

7

1 reference

1 September 2017

1729-1737

1 reference

Raster3D: photorealistic molecular graphics

1 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2373668

A novel approach for assessing macromolecular complexes combining soft-docking calculations with NMR data.

6 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2373668

Ligand binding by antibody IgE Lb4: assessment of binding site preferences using microcalorimetry, docking, and free energy simulations.

6 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2373668

Crystal structure of calcium-independent subtilisin BPN' with restored thermal stability folded without the prodomain

6 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2373668

Crystal structure of human cyclophilin A bound to the amino-terminal domain of HIV-1 capsid

6 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2373668

VMD: visual molecular dynamics

6 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2373668

Structures of product and inhibitor complexes of Streptomyces griseus protease A at 1.8 A resolution. A model for serine protease catalysis

6 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2373668

Crystallographic studies on apocarboxypeptidase A and the complex with glycyl-L-tyrosine

6 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2373668

Gamma-chymotrypsin is a complex of alpha-chymotrypsin with its own autolysis products

6 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2373668

SuperStar: improved knowledge-based interaction fields for protein binding sites

6 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2373668

Electrostatic effects in proteins: comparison of dielectric and charge models

23 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2373668

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

23 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2373668

Fragment-Based flexible ligand docking by evolutionary optimization.

31 August 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2373668

Active site binding modes of HIV-1 integrase inhibitors

31 August 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2373668

Fast prediction and visualization of protein binding pockets with PASS.

31 August 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2373668

LIGSITE: automatic and efficient detection of potential small molecule-binding sites in proteins

31 August 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2373668

Structural analysis of zinc substitutions in the active site of thermolysin

31 August 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2373668

Predicting molecular interactions and inducible complementarity: fragment docking of Fab-peptide complexes.

31 August 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2373668

Matching chemistry and shape in molecular docking

31 August 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2373668

EUDOC: a computer program for identification of drug interaction sites in macromolecules and drug leads from chemical databases

31 August 2018

1 reference

12 December 2020

Mapping of possible binding sequences of two beta-sheet breaker peptides on beta amyloid peptide of Alzheimer's disease

1 reference

12 December 2020

Bovine beta-lactoglobulin modified by 3-hydroxyphthalic anhydride blocks the CD4 cell receptor for HIV

1 reference

12 December 2020

The role of waters in docking strategies with incremental flexibility for carbohydrate derivatives: heat-labile enterotoxin, a multivalent test case

1 reference

12 December 2020

Distributed automated docking of flexible ligands to proteins: Parallel applications of AutoDock 2.4

1 reference

12 December 2020

Soft docking an L and a D peptide to an anticholera toxin antibody using internal coordinate mechanics

1 reference

12 December 2020

Identifiers

DOI

10.1110/PS.0202302

1 reference

1 September 2017

1 reference

PMC publication ID

2373668

1 September 2017

PubMed publication ID

12070326

1 reference

PMC publication ID

2373668