(Q33209836)

23 July 2017

ProPose: a docking engine based on a fully configurable protein-ligand interaction model (English)

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23 July 2017

Markus H J Seifert

1

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23 July 2017

Frank Schmitt

series ordinal

2

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23 July 2017

Thomas Herz

series ordinal

3

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23 July 2017

Bernd Kramer

series ordinal

4

1 reference

23 July 2017

8 October 2004

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Journal of Molecular Modeling

23 July 2017

1 reference

23 July 2017

10

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23 July 2017

5-6

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23 July 2017

342-357

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https://scigraph.springernature.com/pub.10.1007/s00894-004-0201-1

23 July 2017

0 references

cites work

E64 [trans-epoxysuccinyl-L-leucylamido-(4-guanidino)butane] analogues as inhibitors of cysteine proteinases: investigation of S2 subsite interactions

1 reference

Crossref

https://api.crossref.org/works/10.1007%2FS00894-004-0201-1

Glide: a new approach for rapid, accurate docking and scoring. 1. Method and assessment of docking accuracy

21 January 2018

1 reference

12 December 2020

Assessing scoring functions for protein-ligand interactions

1 reference

12 December 2020

Empirical scoring functions: I. The development of a fast empirical scoring function to estimate the binding affinity of ligands in receptor complexes.

1 reference

12 December 2020

Structural basis for selective inhibition of cyclooxygenase-2 by anti-inflammatory agents

1 reference

12 December 2020

The structural basis for substrate-induced changes in redox potential and spin equilibrium in cytochrome P-450CAM

1 reference

12 December 2020

Design, synthesis and biological activity of novel rigid amidino-phenylalanine derivatives as inhibitors of thrombin

1 reference

12 December 2020

A physical reference state unifies the structure-derived potential of mean force for protein folding and binding.

1 reference

12 December 2020

Development and validation of a genetic algorithm for flexible docking

1 reference

12 December 2020

Automated docking of flexible ligands: applications of AutoDock

1 reference

12 December 2020

Gaussian docking functions

1 reference

12 December 2020

Approaches to the description and prediction of the binding affinity of small-molecule ligands to macromolecular receptors

1 reference

12 December 2020

Flexible docking under pharmacophore type constraints

1 reference

12 December 2020

Molecular modeling in cysteine protease inhibitor design

1 reference

12 December 2020

Surflex: fully automatic flexible molecular docking using a molecular similarity-based search engine

1 reference

12 December 2020

Pharmacophore-based molecular docking to account for ligand flexibility

1 reference

12 December 2020

A geometric approach to macromolecule-ligand interactions

1 reference

12 December 2020

Comparison of algorithms for dissimilarity-based compound selection.

1 reference

12 December 2020

Placement of medium-sized molecular fragments into active sites of proteins.

1 reference

12 December 2020

Nonleadlikeness and leadlikeness in biochemical screening

1 reference

12 December 2020

Distilling the essential features of a protein surface for improving protein-ligand docking, scoring, and virtual screening.

1 reference

12 December 2020

Comparison of the cyclooxygenase-1 inhibitory properties of nonsteroidal anti-inflammatory drugs (NSAIDs) and selective COX-2 inhibitors, using sensitive microsomal and platelet assays

1 reference

12 December 2020

Irreversible inhibitors of serine, cysteine, and threonine proteases

1 reference

12 December 2020

Docking of hydrophobic ligands with interaction-based matching algorithms.

1 reference

12 December 2020

Rotational superposition: a review of methods.

1 reference

12 December 2020

Evaluation of the FLEXX incremental construction algorithm for protein-ligand docking

1 reference

12 December 2020

Evaluation of docking performance: comparative data on docking algorithms

1 reference

12 December 2020

Selective inhibition of cyclooxygenase 2

1 reference

12 December 2020

Lessons in molecular recognition: the effects of ligand and protein flexibility on molecular docking accuracy.

1 reference

12 December 2020

A geometry-based suite of molecular docking processes

1 reference

12 December 2020

Enzyme flexibility, solvent and 'weak' interactions characterize thrombin-ligand interactions: implications for drug design

1 reference

12 December 2020

Binding site characteristics in structure-based virtual screening: evaluation of current docking tools

1 reference

12 December 2020

Knowledge-based scoring function to predict protein-ligand interactions.

1 reference

12 December 2020

A new test set for validating predictions of protein-ligand interaction.

1 reference

12 December 2020

Prediction of binding constants of protein ligands: a fast method for the prioritization of hits obtained from de novo design or 3D database search programs

1 reference

12 December 2020

10.1007/S00894-004-0201-1

Identifiers

DOI

1 reference

23 July 2017

1 reference