(Q40533405)

21 September 2017

title

Novel technologies for virtual screening (English)

1 reference

21 September 2017

1

Thomas Lengauer

1 reference

21 September 2017

Marc Zimmermann

4

0 references

Matthias Rarey

object named as

Matthias Rarey

series ordinal

3

0 references

author name string

Christian Lemmen

series ordinal

2

1 reference

21 September 2017

publication date

1 January 2004

1 reference

21 September 2017

1 reference

21 September 2017

volume

9

1 reference

21 September 2017

issue

1

1 reference

21 September 2017

page(s)

27-34

1 reference

Virtual screening and fast automated docking methods.

21 September 2017

cites work

1 reference

https://api.crossref.org/works/10.1016%2FS1359-6446%2804%2902939-3

7 January 2021

High-throughput docking for lead generation

1 reference

https://api.crossref.org/works/10.1016%2FS1359-6446%2804%2902939-3

7 January 2021

Protein-based virtual screening of chemical databases. 1. Evaluation of different docking/scoring combinations.

1 reference

https://api.crossref.org/works/10.1016%2FS1359-6446%2804%2902939-3

7 January 2021

A review of protein-small molecule docking methods

1 reference

https://api.crossref.org/works/10.1016%2FS1359-6446%2804%2902939-3

7 January 2021

Molecular recognition and docking algorithms

1 reference

https://api.crossref.org/works/10.1016%2FS1359-6446%2804%2902939-3

7 January 2021

Structure-based virtual screening: an overview

1 reference

https://api.crossref.org/works/10.1016%2FS1359-6446%2804%2902939-3

7 January 2021

Principles of docking: An overview of search algorithms and a guide to scoring functions

1 reference

https://api.crossref.org/works/10.1016%2FS1359-6446%2804%2902939-3

7 January 2021

High-throughput and virtual screening: core lead discovery technologies move towards integration

1 reference

https://api.crossref.org/works/10.1016%2FS1359-6446%2804%2902939-3

7 January 2021

A comparison of the pharmacophore identification programs: Catalyst, DISCO and GASP.

1 reference

https://api.crossref.org/works/10.1016%2FS1359-6446%2804%2902939-3

7 January 2021

FLEXS: a method for fast flexible ligand superposition.

1 reference

https://api.crossref.org/works/10.1016%2FS1359-6446%2804%2902939-3

7 January 2021

A fast flexible docking method using an incremental construction algorithm.

1 reference

https://api.crossref.org/works/10.1016%2FS1359-6446%2804%2902939-3

7 January 2021

A genetic algorithm for flexible molecular overlay and pharmacophore elucidation.

1 reference

https://api.crossref.org/works/10.1016%2FS1359-6446%2804%2902939-3

7 January 2021

A molecular field-based similarity approach to pharmacophoric pattern recognition.

1 reference

https://api.crossref.org/works/10.1016%2FS1359-6446%2804%2902939-3

7 January 2021

A computational procedure for determining energetically favorable binding sites on biologically important macromolecules

1 reference

https://api.crossref.org/works/10.1016%2FS1359-6446%2804%2902939-3

7 January 2021

Fast 3D molecular superposition and similarity search in databases of flexible molecules

1 reference

https://api.crossref.org/works/10.1016%2FS1359-6446%2804%2902939-3

7 January 2021

FLASHFLOOD: a 3D field-based similarity search and alignment method for flexible molecules

1 reference

https://api.crossref.org/works/10.1016%2FS1359-6446%2804%2902939-3

7 January 2021

A novel shape-feature based approach to virtual library screening

1 reference

https://api.crossref.org/works/10.1016%2FS1359-6446%2804%2902939-3

7 January 2021

A Novel Subshape Molecular Descriptor

1 reference

https://api.crossref.org/works/10.1016%2FS1359-6446%2804%2902939-3

7 January 2021

Computational methods for the structural alignment of molecules

1 reference

https://api.crossref.org/works/10.1016%2FS1359-6446%2804%2902939-3

7 January 2021

Experimental and computational approaches to estimate solubility and permeability in drug discovery and development settings

1 reference

https://api.crossref.org/works/10.1016%2FS1359-6446%2804%2902939-3

7 January 2021

Evaluation of quantitative structure-activity relationship methods for large-scale prediction of chemicals binding to the estrogen receptor.

1 reference

https://api.crossref.org/works/10.1016%2FS1359-6446%2804%2902939-3

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%2FS1359-6446%2804%2902939-3

7 January 2021

Chemical Similarity Searching

1 reference

https://api.crossref.org/works/10.1016%2FS1359-6446%2804%2902939-3

7 January 2021

Investigating the extension of pairwise distance pharmacophore measures to triplet-based descriptors.

1 reference

https://api.crossref.org/works/10.1016%2FS1359-6446%2804%2902939-3

7 January 2021

Selecting optimally diverse compounds from structure databases: a validation study of two-dimensional and three-dimensional molecular descriptors

1 reference

https://api.crossref.org/works/10.1016%2FS1359-6446%2804%2902939-3

7 January 2021

Suitability of molecular descriptors for database mining. A comparative analysis

1 reference

https://api.crossref.org/works/10.1016%2FS1359-6446%2804%2902939-3

7 January 2021

Feature trees: a new molecular similarity measure based on tree matching.

1 reference

https://api.crossref.org/works/10.1016%2FS1359-6446%2804%2902939-3

7 January 2021

1 reference

https://api.crossref.org/works/10.1016%2FS1359-6446%2804%2902939-3

7 January 2021

Further development of reduced graphs for identifying bioactive compounds

1 reference

https://api.crossref.org/works/10.1016%2FS1359-6446%2804%2902939-3

7 January 2021

VolSurf: a new tool for the pharmacokinetic optimization of lead compounds

1 reference

https://api.crossref.org/works/10.1016%2FS1359-6446%2804%2902939-3

7 January 2021

Predicting ligand binding to proteins by affinity fingerprinting

1 reference

https://api.crossref.org/works/10.1016%2FS1359-6446%2804%2902939-3

7 January 2021

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

1 reference

https://api.crossref.org/works/10.1016%2FS1359-6446%2804%2902939-3

7 January 2021

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

1 reference

https://api.crossref.org/works/10.1016%2FS1359-6446%2804%2902939-3

7 January 2021

Toward general methods of targeted library design: topomer shape similarity searching with diverse structures as queries

1 reference

https://api.crossref.org/works/10.1016%2FS1359-6446%2804%2902939-3

7 January 2021

1 reference

https://api.crossref.org/works/10.1016%2FS1359-6446%2804%2902939-3

7 January 2021

Integration of virtual and high-throughput screening

1 reference

https://api.crossref.org/works/10.1016%2FS1359-6446%2804%2902939-3

7 January 2021

Active learning with support vector machines in the drug discovery process.

1 reference

https://api.crossref.org/works/10.1016%2FS1359-6446%2804%2902939-3

7 January 2021

CerBeruS: a system supporting the sequential screening process

1 reference

https://api.crossref.org/works/10.1016%2FS1359-6446%2804%2902939-3

7 January 2021

Diversity analysis of 14 156 molecules tested by the National Cancer Institute for anti-HIV activity using the quantitative structure-activity relational expert system MCASE

1 reference

https://api.crossref.org/works/10.1016%2FS1359-6446%2804%2902939-3

7 January 2021

Analysis of large screening data sets via adaptively grown phylogenetic-like trees.

1 reference

https://api.crossref.org/works/10.1016%2FS1359-6446%2804%2902939-3

7 January 2021

Mining the National Cancer Institute's tumor-screening database: identification of compounds with similar cellular activities

1 reference

https://api.crossref.org/works/10.1016%2FS1359-6446%2804%2902939-3

7 January 2021

LeadScope: software for exploring large sets of screening data

1 reference

https://api.crossref.org/works/10.1016%2FS1359-6446%2804%2902939-3

7 January 2021

Performance of similarity measures in 2D fragment-based similarity searching: comparison of structural descriptors and similarity coefficients

1 reference

https://api.crossref.org/works/10.1016%2FS1359-6446%2804%2902939-3

7 January 2021

Mining and visualizing large anticancer drug discovery databases

1 reference

https://api.crossref.org/works/10.1016%2FS1359-6446%2804%2902939-3

7 January 2021

Data analysis of high-throughput screening results: application of multidomain clustering to the NCI anti-HIV data set.

1 reference

https://api.crossref.org/works/10.1016%2FS1359-6446%2804%2902939-3

7 January 2021

Comparison of the NCI open database with seven large chemical structural databases.

1 reference

https://api.crossref.org/works/10.1016%2FS1359-6446%2804%2902939-3

7 January 2021

10.1016/S1359-6446(04)02939-3

Identifiers

DOI

1 reference

21 September 2017

1 reference