Directory of computer-aided Drug Design tools

https://www.click2drug.org/

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Drug Design anf Bioinformatics Lab

http://www.ddg-pharmfac.net/ddg/index.html

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Drug Discovery Services

https://aurorafinechemicals.com/drug-discovery-services.html

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In-silico online

http://in-silico.online/

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In silico PCR amplification

http://insilico.ehu.es/PCR/

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Bioactivity-explorer

http://cadd.pharmacy.nankai.edu.cn/b17r/home

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MedChem Designer™ – free chemical structure drawing program

https://www.simulations-plus.com/software/medchem-designer/

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Conformer Ensembles http://web.abo.fi/~mivainio/balloon/index.php

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Semiempirical quantum chemistry program http://openmopac.net/

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The Open Source Chemistry Toolbox

http://openbabel.org/

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Generation of free online drug conformation http://bioserv.rpbs.jussieu.fr/cgi-bin/Frog

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Generate 3D conformation using distance geometry http://www.mti.univ-paris-diderot.fr/fr/downloads.html

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Generation of 3D http://www.chembiogrid.org/cheminfo/smi23d/

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Generate geometrically extended or compact conformations http://www.biomedcentral.com/1471-2105/10/101/additional/

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Software Tools for Molecular Design http://dasher.wustl.edu/tinker/

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Descriptor calculation software http://sourceforge.net/projects/joelib

 

Fragment-based descriptors http://glaros.dtc.umn.edu/gkhome/afgen/overview

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Calculate of Substructural Molecular Fragments and ISIDA Fragments

http://infochim.u-strasbg.fr/spip.php?rubrique49

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Simple java-based command level tool for descriptor calculation http://www.softpedia.com/get/ScienceCAD/ODDescriptors.shtml

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Chemdoodle

https://www.chemdoodle.com/

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SwissDock

http://www.swissdock.ch/

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DOCK Blaster

https://blaster.docking.org/

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AutoDock

http://autodock.scripps.edu/

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Daddock

https://haddock.science.uu.nl/

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Open Eye Scientific OEDocking

https://www.eyesopen.com/oedocking

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ZDOCK server

http://zdock.umassmed.edu/

http://zdock.umassmed.edu/tools.html

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M-ZDOCK

http://zdock.umassmed.edu/m-zdock/

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GVK BIO- Drug discovery solutions

https://www.gvkbio.com/drug-discovery-services/

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SARomics 

https://www.saromics.com/Services/Services/DrugDiscovery.html

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Medicilon Inc - Computer Aided Drug Design Services

www.medicilon.com/computer-aided-drug-design-services/

 

Charles river Computer Aided Drug Designhttps://www.criver.com/products-services/discovery-services/chemistry/computer-aided-drug-design?region=3701 Applications

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Gfree Bio Molecular Modelling Services

https://gfreebio.com/modeling-services/

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ICON plc

https://iconplc.com/services/consulting/

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DALTON pharma services

Drug Discovery and Drug Development Services

https://www.dalton.com/drug-discovery-drug-development-services

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Domainex Drug Discovery Services

https://www.domainex.co.uk/drug-discovery-services

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Celerion

https://www.celerion.com/services/drug-development-regulatory-affairs

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vLife

https://www.vlifesciences.com/services/Services.php

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Piramal Pharma Solutions

http://www.piramalpharmasolutions.com/drug-discovery

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Jubilant Biosys

https://www.jubilantbiosys.com/services/functional-discovery-services/computational-chemistry

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Eurofins DiscoverX

https://www.discoverx.com/services/drug-discovery-development-services

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Cayman Medicinal Chemistry and Structure-Based Drug Design Services

https://www.caymanchem.com/Literature/medicinal-chemistry-and-structure-based-drug-design-services

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