(Q46862343)

25 December 2017

title

The concept of template-based de novo design from drug-derived molecular fragments and its application to TAR RNA. (English)

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25 December 2017

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3

Uli Fechner

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Gisbert Schneider

8

object named as

Gisbert Schneider

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25 December 2017

Andreas Schüller

1

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25 December 2017

Marcel Suhartono

2

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25 December 2017

Uli Fechner

3

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25 December 2017

Yusuf Tanrikulu

4

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25 December 2017

Sven Breitung

5

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25 December 2017

Ute Scheffer

6

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25 December 2017

Michael W Göbel

7

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25 December 2017

publication date

7 December 2007

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25 December 2017

Journal of Computer - Aided Molecular Design

published in

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25 December 2017

volume

22

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25 December 2017

issue

2

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25 December 2017

page(s)

59-68

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25 December 2017

The different strategies for designing GPCR and kinase targeted libraries

cites work

1 reference

Crossref

https://api.crossref.org/works/10.1007%2FS10822-007-9157-4

Serotonin receptor and transporter ligands - current status

21 January 2018

1 reference

Crossref

https://api.crossref.org/works/10.1007%2FS10822-007-9157-4

Virtual screening and fast automated docking methods.

21 January 2018

1 reference

Crossref

https://api.crossref.org/works/10.1007%2FS10822-007-9157-4

Artificial neural networks and simulated molecular evolution are potential tools for sequence-oriented protein design.

21 January 2018

1 reference

12 December 2020

A graph-based genetic algorithm and its application to the multiobjective evolution of median molecules.

1 reference

12 December 2020

Identification of common functional configurations among molecules

1 reference

12 December 2020

Computer-based de novo design of drug-like molecules

1 reference

12 December 2020

Flux (2): comparison of molecular mutation and crossover operators for ligand-based de novo design.

1 reference

12 December 2020

Evaluation of a method for controlling molecular scaffold diversity in de novo ligand design

1 reference

12 December 2020

New inhibitors of the Tat-TAR RNA interaction found with a "fuzzy" pharmacophore model

1 reference

12 December 2020

BUILDER v.2: improving the chemistry of a de novo design strategy

1 reference

12 December 2020

Automated molecular design: a new fragment-joining algorithm.

1 reference

12 December 2020

Navigating chemical space for biology and medicine

1 reference

12 December 2020

Automated site-directed drug design using molecular lattices

1 reference

12 December 2020

a high-throughput screening utilizing intramolecular fluorescence resonance energy transfer for the discovery of the molecules that bind hiv-1 tar rna specifically

1 reference

12 December 2020

Structure-based computational database screening, in vitro assay, and NMR assessment of compounds that target TAR RNA.

1 reference

12 December 2020

PRO_LIGAND: an approach to de novo molecular design. 2. Design of novel molecules from molecular field analysis (MFA) models and pharmacophores.

1 reference

12 December 2020

Development and validation of a genetic algorithm for flexible docking

1 reference

12 December 2020

RECAP--retrosynthetic combinatorial analysis procedure: a powerful new technique for identifying privileged molecular fragments with useful applications in combinatorial chemistry

1 reference

12 December 2020

De novo design of molecular architectures by evolutionary assembly of drug-derived building blocks

1 reference

12 December 2020

Scaffold hopping by "fuzzy" pharmacophores and its application to RNA targets

1 reference

12 December 2020

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

1 reference

12 December 2020

Chemical fragment spaces for de novo design.

1 reference

12 December 2020

Diseases caused by voltage-gated ion channels

1 reference

12 December 2020

Coupling structure-based design with combinatorial chemistry: application of active site derived pharmacophores with informative library design

1 reference

12 December 2020

Computer-aided design of non-nucleoside inhibitors of HIV-1 reverse transcriptase

1 reference

12 December 2020

NMR-based characterization of phenothiazines as a RNA binding scaffold

1 reference

12 December 2020

An automated method for dynamic ligand design.

1 reference

12 December 2020

Click Chemistry: Diverse Chemical Function from a Few Good Reactions

1 reference

12 December 2020

Lead optimization via high-throughput molecular docking

1 reference

12 December 2020

HIV-1 TAR RNA: the target of molecular interactions between the virus and its host

1 reference

12 December 2020

Predicting compound selectivity by self-organizing maps: cross-activities of metabotropic glutamate receptor antagonists.

1 reference

12 December 2020

Structure of TAR RNA complexed with a Tat-TAR interaction nanomolar inhibitor that was identified by computational screening

1 reference

12 December 2020

De novo design of enzyme inhibitors by Monte Carlo ligand generation

1 reference

12 December 2020

Development and testing of a de novo drug-design algorithm

1 reference

12 December 2020

Conformational dynamics of RNA-peptide binding: a molecular dynamics simulation study

1 reference

12 December 2020

Hit discovery and hit-to-lead approaches

1 reference

12 December 2020

Automated site-directed drug design: approaches to the formation of 3D molecular graphs.

1 reference

12 December 2020

1 reference

12 December 2020

PRO-LIGAND: an approach to de novo molecular design. 1. Application to the design of organic molecules

1 reference

12 December 2020

Automated site-directed drug design: a general algorithm for knowledge acquisition about hydrogen-bonding regions at protein surfaces.

1 reference

12 December 2020

A novel computational tool for automated structure-based drug design

1 reference

12 December 2020

LUDI: rule-based automatic design of new substituents for enzyme inhibitor leads

1 reference

12 December 2020

Virtual Screening for Bioactive Molecules by Evolutionary De Novo Design Special thanks to Neil R. Taylor for his help in preparation of the manuscript

1 reference

12 December 2020

Synergy between combinatorial chemistry and de novo design.

1 reference

12 December 2020

A genetic algorithm for the automated generation of small organic molecules: drug design using an evolutionary algorithm.

1 reference

12 December 2020

GroupBuild: a fragment-based method for de novo drug design

1 reference

12 December 2020

"Scaffold-Hopping" by Topological Pharmacophore Search: A Contribution to Virtual Screening

1 reference

12 December 2020

Evaluation of distance metrics for ligand-based similarity searching

1 reference

12 December 2020

Flux (1): a virtual synthesis scheme for fragment-based de novo design.

1 reference

12 December 2020

Hit and lead generation: beyond high-throughput screening

1 reference

12 December 2020

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

1 reference

12 December 2020

Combinatorial library design using a multiobjective genetic algorithm

1 reference

12 December 2020

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

1 reference

12 December 2020

10.1007/S10822-007-9157-4

Identifiers

DOI

1 reference

25 December 2017

journals/jcamd/SchullerSFTBSGS08

DBLP publication ID

1 reference

DBLP Dataset 2021-01-02

28 January 2021

1 reference

25 December 2017