e-LEA3D: a computational-aided drug design web server (Q33957660)

30 July 2017

e-LEA3D: a computational-aided drug design web server (English)

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30 July 2017

1 reference

Dominique Douguet

1

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PubMed ID

20444867

30 July 2017

language of work or name

English

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publication date

5 May 2010

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30 July 2017

Nucleic Acids Research

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30 July 2017

38

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30 July 2017

W615-21

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30 July 2017

Web Server issue

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Creative Commons Attribution-NonCommercial 2.5 Generic

30 July 2017

start time

4 October 2016

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April 2022 Public Data File from Crossref

copyright status

copyrighted

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cites work

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5 July 2018

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Dynamic template-assisted strategies in fragment-based drug discovery.

5 July 2018

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970 Million Druglike Small Molecules for Virtual Screening in the Chemical Universe Database GDB-13

5 July 2018

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5 July 2018

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Combinatorial chemistry: oh what a decade or two can do.

5 July 2018

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Current status and future direction of the molecular modeling industry

5 July 2018

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An early history of the molecular modeling industry

5 July 2018

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Concept of combinatorial de novo design of drug-like molecules by particle swarm optimization

5 July 2018

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Superimpose: a 3D structural superposition server

5 July 2018

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PharmaGist: a webserver for ligand-based pharmacophore detection

5 July 2018

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Sharing chemical information without sharing chemical structure

5 July 2018

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Free resources to assist structure-based virtual ligand screening experiments

5 July 2018

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5 July 2018

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FAF-Drugs: free ADME/tox filtering of compound collections.

5 July 2018

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TarFisDock: a web server for identifying drug targets with docking approach

5 July 2018

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

5 July 2018

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5 July 2018

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PDB2PQR: an automated pipeline for the setup of Poisson-Boltzmann electrostatics calculations

5 July 2018

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Freeze-frame inhibitor captures acetylcholinesterase in a unique conformation

5 July 2018

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Recent advances in de novo design strategy for practical lead identification

5 July 2018

1 reference

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Further development and validation of empirical scoring functions for structure-based binding affinity prediction

5 July 2018

1 reference

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Development of a virtual screening method for identification of "frequent hitters" in compound libraries

5 July 2018

1 reference

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Synergy between combinatorial chemistry and de novo design.

5 July 2018

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The NEWLEAD program: a new method for the design of candidate structures from pharmacophoric hypotheses.

5 July 2018

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

5 July 2018

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The chemist as astronaut: searching for biologically useful space in the chemical universe.

5 July 2018

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A genetic algorithm for the automated generation of molecules within constraints.

21 January 2018

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A genetic algorithm for structure-based de novo design

21 January 2018

1 reference

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A validation study on the practical use of automated de novo design.

21 January 2018

1 reference

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LEA3D: a computer-aided ligand design for structure-based drug design.

21 January 2018

1 reference

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Empirical scoring functions for advanced protein-ligand docking with PLANTS.

21 January 2018

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A fast flexible docking method using an incremental construction algorithm.

21 January 2018

1 reference

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In situ click chemistry: enzyme-generated inhibitors of carbonic anhydrase II.

21 January 2018

1 reference

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In situ click chemistry: enzyme inhibitors made to their own specifications

29 October 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2896156

29 October 2018

Identifiers

DOI

10.1093/NAR/GKQ322

1 reference

30 July 2017

journals/nar/Douguet10

1 reference

DBLP Dataset 2021-01-02

28 January 2021

1 reference

30 July 2017

1 reference

PubMed ID

20444867