(Q30873329)

27 June 2017

1 reference

title

Structure-based library design: molecular modelling merges with combinatorial chemistry (English)

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27 June 2017

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Böhm HJ

1

1 reference

PubMed ID

10826972

27 June 2017

Stahl M

series ordinal

2

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27 June 2017

1 June 2000

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Current Opinion in Chemical Biology

27 June 2017

1 reference

27 June 2017

4

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27 June 2017

283-286

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27 June 2017

3

1 reference

Molecular Recognition of Protein−Ligand Complexes: Applications to Drug Design

27 June 2017

1 reference

https://api.crossref.org/works/10.1016%2FS1367-5931%2800%2900090-9

7 January 2021

Can drugs be designed?

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7 January 2021

The art and practice of structure-based drug design: A molecular modeling perspective

1 reference

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7 January 2021

Combinatorial docking and combinatorial chemistry: design of potent non-peptide thrombin inhibitors

1 reference

https://api.crossref.org/works/10.1016%2FS1367-5931%2800%2900090-9

7 January 2021

CombiDOCK: structure-based combinatorial docking and library design

1 reference

https://api.crossref.org/works/10.1016%2FS1367-5931%2800%2900090-9

7 January 2021

Structure-based design and combinatorial chemistry yield low nanomolar inhibitors of cathepsin D.

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https://api.crossref.org/works/10.1016%2FS1367-5931%2800%2900090-9

7 January 2021

PRO_SELECT: combining structure-based drug design and combinatorial chemistry for rapid lead discovery. 1. Technology

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https://api.crossref.org/works/10.1016%2FS1367-5931%2800%2900090-9

7 January 2021

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

1 reference

https://api.crossref.org/works/10.1016%2FS1367-5931%2800%2900090-9

7 January 2021

Development and validation of a genetic algorithm for flexible docking

1 reference

https://api.crossref.org/works/10.1016%2FS1367-5931%2800%2900090-9

7 January 2021

A new class of models for computing receptor-ligand binding affinities

1 reference

https://api.crossref.org/works/10.1016%2FS1367-5931%2800%2900090-9

7 January 2021

Scoring functions: a view from the bench

1 reference

https://api.crossref.org/works/10.1016%2FS1367-5931%2800%2900090-9

7 January 2021

Relating structure to thermodynamics: The crystal structures and binding affinity of eight OppA-peptide complexes

1 reference

https://api.crossref.org/works/10.1016%2FS1367-5931%2800%2900090-9

7 January 2021

A comparative study of ligand-receptor complex binding affinity prediction methods based on glycogen phosphorylase inhibitors

1 reference

https://api.crossref.org/works/10.1016%2FS1367-5931%2800%2900090-9

7 January 2021

Ligand solvation in molecular docking.

1 reference

https://api.crossref.org/works/10.1016%2FS1367-5931%2800%2900090-9

7 January 2021

Empirical scoring functions. II. The testing of an empirical scoring function for the prediction of ligand-receptor binding affinities and the use of Bayesian regression to improve the quality of the model.

1 reference

https://api.crossref.org/works/10.1016%2FS1367-5931%2800%2900090-9

7 January 2021

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

https://api.crossref.org/works/10.1016%2FS1367-5931%2800%2900090-9

7 January 2021

Evaluation of PMF scoring in docking weak ligands to the FK506 binding protein

1 reference

https://api.crossref.org/works/10.1016%2FS1367-5931%2800%2900090-9

7 January 2021

A general and fast scoring function for protein-ligand interactions: a simplified potential approach.

1 reference

https://api.crossref.org/works/10.1016%2FS1367-5931%2800%2900090-9

7 January 2021

Consensus scoring: A method for obtaining improved hit rates from docking databases of three-dimensional structures into proteins.

1 reference

https://api.crossref.org/works/10.1016%2FS1367-5931%2800%2900090-9

7 January 2021

Development of filter functions for protein-ligand docking

1 reference

https://api.crossref.org/works/10.1016%2FS1367-5931%2800%2900090-9

7 January 2021

Efficacy and selectivity in flexible database docking.

1 reference

https://api.crossref.org/works/10.1016%2FS1367-5931%2800%2900090-9

7 January 2021

DREAM++: flexible docking program for virtual combinatorial libraries

1 reference

https://api.crossref.org/works/10.1016%2FS1367-5931%2800%2900090-9

7 January 2021

Potent, low-molecular-weight non-peptide inhibitors of malarial aspartyl protease plasmepsin II.

1 reference

https://api.crossref.org/works/10.1016%2FS1367-5931%2800%2900090-9

7 January 2021

Blockers of human T cell Kv1.3 potassium channels using de novo ligand design and solid-phase parallel combinatorial chemistry

1 reference

https://api.crossref.org/works/10.1016%2FS1367-5931%2800%2900090-9

7 January 2021

Using a galactose library for exploration of a novel hydrophobic pocket in the receptor binding site of the Escherichia coli heat-labile enterotoxin

1 reference

https://api.crossref.org/works/10.1016%2FS1367-5931%2800%2900090-9

7 January 2021

The computer program LUDI: a new method for the de novo design of enzyme inhibitors

1 reference

https://api.crossref.org/works/10.1016%2FS1367-5931%2800%2900090-9

7 January 2021

Novel structural templates for estrogen-receptor ligands and prospects for combinatorial synthesis of estrogens

1 reference

https://api.crossref.org/works/10.1016%2FS1367-5931%2800%2900090-9

7 January 2021

Prospective identification of biologically active structures by topomer shape similarity searching

1 reference

https://api.crossref.org/works/10.1016%2FS1367-5931%2800%2900090-9

7 January 2021

SQ: a program for rapidly producing pharmacophorically relevent molecular superpositions.

1 reference

https://api.crossref.org/works/10.1016%2FS1367-5931%2800%2900090-9

7 January 2021

New 4-point pharmacophore method for molecular similarity and diversity applications: overview of the method and applications, including a novel approach to the design of combinatorial libraries containing privileged substructures

1 reference

https://api.crossref.org/works/10.1016%2FS1367-5931%2800%2900090-9

7 January 2021

Designing libraries with CNS activity

1 reference

https://api.crossref.org/works/10.1016%2FS1367-5931%2800%2900090-9

7 January 2021

Recognizing molecules with drug-like properties

1 reference

https://api.crossref.org/works/10.1016%2FS1367-5931%2800%2900090-9

7 January 2021

10.1016/S1367-5931(00)00090-9

Identifiers

DOI

1 reference

27 June 2017

1 reference

PubMed ID

10826972