(Q38244681)

31 August 2017

title

Virtual screening strategies: recent advances in the identification and design of anti-cancer agents (English)

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31 August 2017

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Vikash Kumar

1

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31 August 2017

Shagun Krishna

series ordinal

2

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31 August 2017

Mohammad Imran Siddiqi

series ordinal

3

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31 August 2017

publication date

27 August 2014

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31 August 2017

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31 August 2017

volume

71

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31 August 2017

page(s)

64-70

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ALADDIN: an integrated tool for computer-assisted molecular design and pharmacophore recognition from geometric, steric, and substructure searching of three-dimensional molecular structures

31 August 2017

cites work

1 reference

https://api.crossref.org/works/10.1016%2FJ.YMETH.2014.08.010

Virtual screening in drug discovery -- a computational perspective

7 January 2021

1 reference

https://api.crossref.org/works/10.1016%2FJ.YMETH.2014.08.010

The future of virtual compound screening

7 January 2021

1 reference

https://api.crossref.org/works/10.1016%2FJ.YMETH.2014.08.010

Virtual screening: an endless staircase?

7 January 2021

1 reference

https://api.crossref.org/works/10.1016%2FJ.YMETH.2014.08.010

Structure-based virtual screening for drug discovery: a problem-centric review

7 January 2021

1 reference

https://api.crossref.org/works/10.1016%2FJ.YMETH.2014.08.010

What is targeted therapy?

7 January 2021

1 reference

https://api.crossref.org/works/10.1016%2FJ.YMETH.2014.08.010

Integration of virtual and high-throughput screening

7 January 2021

1 reference

https://api.crossref.org/works/10.1016%2FJ.YMETH.2014.08.010

Über den jetzigen Stand der Chemotherapie

7 January 2021

1 reference

https://api.crossref.org/works/10.1016%2FJ.YMETH.2014.08.010

A unified, probabilistic framework for structure- and ligand-based virtual screening.

7 January 2021

1 reference

https://api.crossref.org/works/10.1016%2FJ.YMETH.2014.08.010

Identification of common functional configurations among molecules

7 January 2021

1 reference

https://api.crossref.org/works/10.1016%2FJ.YMETH.2014.08.010

A fast new approach to pharmacophore mapping and its application to dopaminergic and benzodiazepine agonists.

7 January 2021

1 reference

https://api.crossref.org/works/10.1016%2FJ.YMETH.2014.08.010

GALAHAD: 1. pharmacophore identification by hypermolecular alignment of ligands in 3D.

7 January 2021

1 reference

https://api.crossref.org/works/10.1016%2FJ.YMETH.2014.08.010

PHASE: a new engine for pharmacophore perception, 3D QSAR model development, and 3D database screening: 1. Methodology and preliminary results

7 January 2021

1 reference

https://api.crossref.org/works/10.1016%2FJ.YMETH.2014.08.010

First pharmacophore-based identification of androgen receptor down-regulating agents: discovery of potent anti-prostate cancer agents.

7 January 2021

1 reference

https://api.crossref.org/works/10.1016%2FJ.YMETH.2014.08.010

Identification of novel antitubulin agents by using a virtual screening approach based on a 7-point pharmacophore model of the tubulin colchi-site

7 January 2021

1 reference

https://api.crossref.org/works/10.1016%2FJ.YMETH.2014.08.010

Why do we need so many chemical similarity search methods?

7 January 2021

1 reference

https://api.crossref.org/works/10.1016%2FJ.YMETH.2014.08.010

One-dimensional molecular representations and similarity calculations: methodology and validation

7 January 2021

1 reference

https://api.crossref.org/works/10.1016%2FJ.YMETH.2014.08.010

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

7 January 2021

1 reference

https://api.crossref.org/works/10.1016%2FJ.YMETH.2014.08.010

Metric Validation and the Receptor-Relevant Subspace Concept

7 January 2021

1 reference

https://api.crossref.org/works/10.1016%2FJ.YMETH.2014.08.010

A widely applicable set of descriptors

7 January 2021

1 reference

https://api.crossref.org/works/10.1016%2FJ.YMETH.2014.08.010

The characterization of chemical structures using molecular properties. A survey

7 January 2021

1 reference

https://api.crossref.org/works/10.1016%2FJ.YMETH.2014.08.010

Virtual screening—an overview

7 January 2021

1 reference

https://api.crossref.org/works/10.1016%2FJ.YMETH.2014.08.010

7 January 2021

1 reference

https://api.crossref.org/works/10.1016%2FJ.YMETH.2014.08.010

Novel curcumin- and emodin-related compounds identified by in silico 2D/3D conformer screening induce apoptosis in tumor cells

7 January 2021

1 reference

https://api.crossref.org/works/10.1016%2FJ.YMETH.2014.08.010

Identifying novel molecular structures for advanced melanoma by ligand-based virtual screening

7 January 2021

1 reference

https://api.crossref.org/works/10.1016%2FJ.YMETH.2014.08.010

Machine learning in virtual screening.

7 January 2021

1 reference

https://api.crossref.org/works/10.1016%2FJ.YMETH.2014.08.010

An overview of statistical learning theory.

7 January 2021

1 reference

https://api.crossref.org/works/10.1016%2FJ.YMETH.2014.08.010

Biological applications of support vector machines

7 January 2021

1 reference

https://api.crossref.org/works/10.1016%2FJ.YMETH.2014.08.010

A support vector machines approach for virtual screening of active compounds of single and multiple mechanisms from large libraries at an improved hit-rate and enrichment factor

7 January 2021

1 reference

https://api.crossref.org/works/10.1016%2FJ.YMETH.2014.08.010

Naïve Bayes classification using 2D pharmacophore feature triplet vectors

7 January 2021

1 reference

https://api.crossref.org/works/10.1016%2FJ.YMETH.2014.08.010

Identifying Novel Type ZBGs and Nonhydroxamate HDAC Inhibitors Through a SVM Based Virtual Screening Approach

7 January 2021

1 reference

https://api.crossref.org/works/10.1016%2FJ.YMETH.2014.08.010

AutoDock4 and AutoDockTools4: Automated docking with selective receptor flexibility

7 January 2021

1 reference

https://api.crossref.org/works/10.1016%2FJ.YMETH.2014.08.010

DOCK 6: combining techniques to model RNA-small molecule complexes

7 January 2021

1 reference

https://api.crossref.org/works/10.1016%2FJ.YMETH.2014.08.010

A fast flexible docking method using an incremental construction algorithm.

7 January 2021

1 reference

https://api.crossref.org/works/10.1016%2FJ.YMETH.2014.08.010

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

7 January 2021

1 reference

https://api.crossref.org/works/10.1016%2FJ.YMETH.2014.08.010

Improved protein-ligand docking using GOLD

7 January 2021

1 reference

https://api.crossref.org/works/10.1016%2FJ.YMETH.2014.08.010

Structure-based virtual screening and identification of a novel androgen receptor antagonist.

7 January 2021

1 reference

https://api.crossref.org/works/10.1016%2FJ.YMETH.2014.08.010

Discovery of novel EGFR tyrosine kinase inhibitors by structure-based virtual screening

7 January 2021

1 reference

https://api.crossref.org/works/10.1016%2FJ.YMETH.2014.08.010

Identification of chemically diverse Chk1 inhibitors by receptor-based virtual screening.

7 January 2021

1 reference

https://api.crossref.org/works/10.1016%2FJ.YMETH.2014.08.010

Validation of an empirical RNA-ligand scoring function for fast flexible docking using Ribodock

7 January 2021

1 reference

https://api.crossref.org/works/10.1016%2FJ.YMETH.2014.08.010

Selective chemical probe inhibitor of Stat3, identified through structure-based virtual screening, induces antitumor activity

7 January 2021

1 reference

https://api.crossref.org/works/10.1016%2FJ.YMETH.2014.08.010

In Silico Screening Reveals Structurally Diverse, Nanomolar Inhibitors of NQO2 That Are Functionally Active in Cells and Can Modulate NF- B Signaling

7 January 2021

1 reference

https://api.crossref.org/works/10.1016%2FJ.YMETH.2014.08.010

Structural interaction fingerprint (SIFt): a novel method for analyzing three-dimensional protein-ligand binding interactions

7 January 2021

1 reference

https://api.crossref.org/works/10.1016%2FJ.YMETH.2014.08.010

Applying linear interaction energy method for rational design of noncompetitive allosteric inhibitors of the sarco- and endoplasmic reticulum calcium-ATPase

7 January 2021

1 reference

https://api.crossref.org/works/10.1016%2FJ.YMETH.2014.08.010

Electrostatics of nanosystems: application to microtubules and the ribosome

7 January 2021

1 reference

https://api.crossref.org/works/10.1016%2FJ.YMETH.2014.08.010

Solvated interaction energy (SIE) for scoring protein-ligand binding affinities. 1. Exploring the parameter space.

7 January 2021

1 reference

https://api.crossref.org/works/10.1016%2FJ.YMETH.2014.08.010

Improving the scoring of protein-ligand binding affinity by including the effects of structural water and electronic polarization.

7 January 2021

1 reference

https://api.crossref.org/works/10.1016%2FJ.YMETH.2014.08.010

Virtual screening and biological evaluation of inhibitors targeting the XPA-ERCC1 interaction

7 January 2021

1 reference

https://api.crossref.org/works/10.1016%2FJ.YMETH.2014.08.010

The relaxed complex method: Accommodating receptor flexibility for drug design with an improved scoring scheme

7 January 2021

1 reference

https://api.crossref.org/works/10.1016%2FJ.YMETH.2014.08.010

The testing of statistical hypotheses in relation to probabilities a priori

7 January 2021

1 reference

https://api.crossref.org/works/10.1016%2FJ.YMETH.2014.08.010

Soft docking and multiple receptor conformations in virtual screening

7 January 2021

1 reference

https://api.crossref.org/works/10.1016%2FJ.YMETH.2014.08.010

Discovery of novel checkpoint kinase 1 inhibitors by virtual screening based on multiple crystal structures

7 January 2021

1 reference

https://api.crossref.org/works/10.1016%2FJ.YMETH.2014.08.010

ZINC--a free database of commercially available compounds for virtual screening

7 January 2021

1 reference

https://api.crossref.org/works/10.1016%2FJ.YMETH.2014.08.010

The discovery of phenylbenzamide derivatives as Grb7-based antitumor agents

7 January 2021

1 reference

https://api.crossref.org/works/10.1016%2FJ.YMETH.2014.08.010

Combined SVM-based and docking-based virtual screening for retrieving novel inhibitors of c-Met

7 January 2021

1 reference

https://api.crossref.org/works/10.1016%2FJ.YMETH.2014.08.010

Applying ligands profiling using multiple extended electron distribution based field templates and feature trees similarity searching in the discovery of new generation of urea-based antineoplastic kinase inhibitors

7 January 2021

1 reference

https://api.crossref.org/works/10.1016%2FJ.YMETH.2014.08.010

Discovery of novel Pim-1 kinase inhibitors by a hierarchical multistage virtual screening approach based on SVM model, pharmacophore, and molecular docking

7 January 2021

1 reference

https://api.crossref.org/works/10.1016%2FJ.YMETH.2014.08.010

Development of a novel class of B-Raf(V600E)-selective inhibitors through virtual screening and hierarchical hit optimization

7 January 2021

1 reference

https://api.crossref.org/works/10.1016%2FJ.YMETH.2014.08.010

SHAFTS: a hybrid approach for 3D molecular similarity calculation. 1. Method and assessment of virtual screening

7 January 2021

1 reference

https://api.crossref.org/works/10.1016%2FJ.YMETH.2014.08.010

Pharmacophore-based screening and identification of novel human ligase I inhibitors with potential anticancer activity

7 January 2021

1 reference

https://api.crossref.org/works/10.1016%2FJ.YMETH.2014.08.010

Discovery of a nanomolar inhibitor of the human murine double minute 2 (MDM2)-p53 interaction through an integrated, virtual database screening strategy.

7 January 2021

1 reference

https://api.crossref.org/works/10.1016%2FJ.YMETH.2014.08.010

A web-based 3D-database pharmacophore searching tool for drug discovery

7 January 2021

1 reference

https://api.crossref.org/works/10.1016%2FJ.YMETH.2014.08.010

A targeted library screen reveals a new inhibitor scaffold for protein kinase D

7 January 2021

1 reference

https://api.crossref.org/works/10.1016%2FJ.YMETH.2014.08.010

10.1016/J.YMETH.2014.08.010

7 January 2021

Identifiers

DOI

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31 August 2017

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