(Q27902353)

1

0 references

Chris Alvin

2

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Yun Ding

3

0 references

Supratik Mukhopadhyay

Journal of Cheminformatics

4

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publication date

2016

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published in

1 reference

Creative Commons Attribution 4.0 International

volume

8

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issue

1

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page(s)

14

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copyright license

start time

15 March 2016

1 reference

April 2022 Public Data File from Crossref

copyright status

copyrighted

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cites work

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20 March 2017

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Estimation of synthetic accessibility score of drug-like molecules based on molecular complexity and fragment contributions

20 March 2017

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20 March 2017

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20 March 2017

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

20 March 2017

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Ligand docking and structure-based virtual screening in drug discovery

20 March 2017

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Use of natural products as chemical library for drug discovery and network pharmacology

20 March 2017

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Detection of drug-drug interactions by modeling interaction profile fingerprints

20 March 2017

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AutoClickChem: click chemistry in silico

20 March 2017

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Graph theory enables drug repurposing--how a mathematical model can drive the discovery of hidden mechanisms of action

20 March 2017

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The Chemical Space Project

20 March 2017

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Computational redesign of bacterial biotin carboxylase inhibitors using structure-based virtual screening of combinatorial libraries.

7 April 2017

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De novo design of drug-like molecules by a fragment-based molecular evolutionary approach

29 September 2017

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Nonlinear scoring functions for similarity-based ligand docking and binding affinity prediction

29 September 2017

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Virtual screening strategies in drug discovery: a critical review.

29 September 2017

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Stochastic voyages into uncharted chemical space produce a representative library of all possible drug-like compounds

29 September 2017

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Development of a natural products database from the biodiversity of Brazil.

29 September 2017

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Build-up algorithm for atomic correspondence between chemical structures

29 September 2017

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The design and application of target-focused compound libraries

29 September 2017

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Modeling liver-related adverse effects of drugs using knearest neighbor quantitative structure-activity relationship method

29 September 2017

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Structure-based virtual ligand screening: recent success stories

29 September 2017

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FOG: Fragment Optimized Growth algorithm for the de novo generation of molecules occupying druglike chemical space

29 September 2017

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Kinase-targeted libraries: the design and synthesis of novel, potent, and selective kinase inhibitors

29 September 2017

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Development and experimental validation of a docking strategy for the generation of kinase-targeted libraries

29 September 2017

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Structure-based development of target-specific compound libraries

29 September 2017

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29 September 2017

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Diversity in medicinal chemistry space

29 September 2017

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Biological networks and analysis of experimental data in drug discovery

29 September 2017

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Docking and scoring in virtual screening for drug discovery: methods and applications

29 September 2017

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Virtual screening in lead discovery and optimization.

29 September 2017

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The different strategies for designing GPCR and kinase targeted libraries

29 September 2017

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Relibase: design and development of a database for comprehensive analysis of protein-ligand interactions

29 September 2017

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Protein flexibility and drug design: how to hit a moving target.

29 September 2017

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Combinatorial target-guided ligand assembly: identification of potent subtype-selective c-Src inhibitors

29 September 2017

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Molecular docking towards drug discovery

29 September 2017

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The properties of known drugs. 1. Molecular frameworks

29 September 2017

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

29 September 2017

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Directory of useful decoys, enhanced (DUD-E): better ligands and decoys for better benchmarking

29 September 2017

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

2 June 2018

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Space/time trade-offs in hash coding with allowable errors

2 June 2018

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3D flexible alignment using 2D maximum common substructure: dependence of prediction accuracy on target-reference chemical similarity.

21 January 2018

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https://api.crossref.org/works/10.1186%2FS13321-016-0126-6

Functionality maps of binding sites: a multiple copy simultaneous search method

21 January 2018

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https://api.crossref.org/works/10.1186%2FS13321-016-0126-6

SPROUT: a program for structure generation.

21 January 2018

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https://api.crossref.org/works/10.1186%2FS13321-016-0126-6

SMall Molecule Growth 2001 (SMoG2001): an improved knowledge-based scoring function for protein-ligand interactions.

21 January 2018

1 reference

https://api.crossref.org/works/10.1186%2FS13321-016-0126-6

PhDD: a new pharmacophore-based de novo design method of drug-like molecules combined with assessment of synthetic accessibility

21 January 2018

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12 December 2020

Scaffold-hopping potential of ligand-based similarity concepts

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12 December 2020

Chemical space and biology

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12 December 2020

Designing sedative/hypnotic compounds from a novel substructural graph-theoretical approach

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12 December 2020

Recent advances in virtual screening for drug discovery

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12 December 2020

Validation of the general purpose Tripos 5.2 force field

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COCI

https://opencitations.net/index/coci/api/v1/references/10.1186/S13321-016-0126-6

10.1186/S13321-016-0126-6

3 January 2022

Identifiers

DOI

0 references

DBLP publication ID

journals/jcheminf/NaderiADMB16

1 reference

DBLP Dataset 2021-01-02