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home computational biology & chemistry bioinformatics targets, target-ligand 3d structure prediction molecular modeling 3d quality control 3d structure utilities modeling loops protein-protein interaction protein-protein docking hotspots - interace residues ppi databases, network simulation binding pockets mutations peptides, antibodies, epitopes related tools patent search visualization - commercial tools teaching and training open drug discovery other links chemoinformatics chemistry toolkits and utilities annotated compounds-purchasing molecules file formats qsar admet databases, datasets manage collections - chemical space admet predictions off-targets, drug repurposing 3d structure generator virtual screening sb-vls lb-vls vs utilities drug design teaching in silico drug design: key concepts & tools unix tips for patients about me vls3d-consulting doctoral school for therapeutic innovation biography short cv short movie our lab umrs-973 publications pubmed selected publications collaborators cdithem protein-protein modulators site map search home computational biology & chemistry bioinformatics targets, target-ligand 3d structure prediction molecular modeling 3d quality control 3d structure utilities modeling loops protein-protein interaction protein-protein docking hotspots - interace residues ppi databases, network simulation binding pockets mutations peptides, antibodies, epitopes related tools patent search visualization - commercial tools teaching and training open drug discovery other links chemoinformatics chemistry toolkits and utilities annotated compounds-purchasing molecules file formats qsar admet databases, datasets manage collections - chemical space admet predictions off-targets, drug repurposing 3d structure generator virtual screening sb-vls lb-vls vs utilities drug design teaching in silico drug design: key concepts & tools unix tips for patients about me vls3d-consulting doctoral school for therapeutic innovation biography short cv short movie our lab umrs-973 publications pubmed selected publications collaborators cdithem protein-protein modulators site map vls3d.com: directory of tools & databases collected over 10 years computational approaches and "free" resources to assist drug discovery, chemical biology & precision medicine if you have no time to read please go to the shortlist page keywords : in silico drug design, virtual screening, bioinformatics, molecular interactions, adme-tox, docking, aa variations, chemical space, qsar, binding pockets & hot-spots, data mining, machine learning, big data... philosophy : find the tools you need for your project how ? in the section computational biology and chemistry about 3300 tools (online & standalone) & databases/datasets, collected over a decade, are organized in different tables. these tools assist drug discovery , chemical biology & research in the field of pathophysiology & precision medicine . tools are grouped into 3 main categories: chemoinformatics , related tools and bioinformatics . the same software/database can be in different tables. to make it easier, i tend to add tools directly in the shortlist page such as to have all at once history : ~500 links were first published by villoutreix et al. in curr protein pept sci. 2007, 8:381-411 (i started to collect them for myself in 2002, structural bioinformatics: methods, concepts and applications to blood coagulation proteins, current protein and peptide science, 2002, 3, 341-364). when this site was launched in 2006, the focus was essentially on virtual ligand screening and structural (3d) bioinformatics, thus the name vls3d. since then, some related topics have been added. nota bene : if this site is helpful for your work, please cite: villoutreix et al. drug discovery today 2013, 18:1081-9 i'll do my best to remove dead content twice a year. bruno villoutreix last update dec 1 2018 explore in one click bioinformatics related tools chemoinformatics new tools examples of tools reported by computational groups worldwide nov / dec 2018 bioinformatics: mtiopenscreen (with purchasable drug repositioning option) pywindow (detect pores) sebomd (simulation) chemoinformatics: ch/pmunk (virtual synthesizable small-molecule collections) bruno villoutreix about me see the video see the video ~25 years experience in the field of in silico molecular medicine ~3225 databases and software packages listed on this website ~520k visitors since the site was launched in 2006 ~180 articles and reviews 12 book chapters 50 h-index google scholar ~20 chemical "probes" identified 1 anti-metastatic molecule designed in silico now in clinical trial 7 patents, mainly in the field of cancer i have been working at the interface between molecular medicine (mainly cancer, the complement system and blood coagulation), and structural bioinformatics and chemoinformatics for over 20 years in different countries (mainly usa, finland, sweden, france), in the private and academic sectors. i am research director at the inserm institute (the french national institute of health and medical research is a public scientific and technological institute which operates under the joint authority of the french ministry of health and french ministry of research) and head of the research unit u973. i study many undrugged targets and mechanisms such as those involving protein-protein interactions and transient protein-membrane interactions using different types of known and novel in silico approaches, in collaboration with experimental teams located in france and abroad... more... in silico drug design introduction consulting since 2003, i have been a consultant for biotechnology and pharmaceutical companies as well as for academic research groups and institutes... more... some concepts & tools in the post-genomic era, informatics technologies play a major role in medical research and pharmaceutical sciences and have become increasingly important in data management, lead-compound identification and in enhancing our understanding of the health and disease states (bioinformatics, chemoinformatics, data mining, dataviz, network...)... more... some unix tips to manipulate biology and chemistry files the idea is to have very short scripts or one line codes, very simple ones to perform some simple tasks on chemistry and protein (or other) files more... cover pages some illustrated examples of my work email bruno.villoutreix(at)gmail.com address follow me © bruno villoutreix. a first version of this website was launched in 2006. thank to natacha oliveira

URL analysis for vls3d.com

http://www.vls3d.com/index.php/links/bioinformatics/3d-structure-prediction
http://www.vls3d.com/index.php/links/chemoinformatics/annotated-compounds-buying-small-molecules
http://www.vls3d.com/index.php/links/chemoinformatics/3d-structure-generator
http://www.vls3d.com/index.php/links/related-tools/teaching-and-training
http://www.vls3d.com/index.php/links/chemoinformatics/virtual-screening/virtual-screening-utilities
http://www.vls3d.com/index.php/links/chemoinformatics/admet/admet-and-physchem-predictions-and-related-tools
http://www.vls3d.com/index.php/links/bioinformatics/simulation
http://www.vls3d.com/index.php/links/related-tools
http://www.vls3d.com/index.php/about-me
http://www.vls3d.com/index.php/virtual-screening/comments-about-virtuel-screening
http://www.vls3d.com/index.php/links/chemoinformatics/qsar
http://www.vls3d.com/index.php/links/chemoinformatics/admet
http://www.vls3d.com/index.php/virtual-screening/teaching
http://www.vls3d.com/index.php/links/chemoinformatics/admet/databases-datasets
http://www.vls3d.com/index.php/links/bioinformatics/3d-structure-prediction/modeling-loops

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Domain Name: vls3d.com
Registry Domain ID: D8410677-CONE
Registrar WHOIS Server: whois.corehub.net
Registrar URL: http://corehub.net
Updated Date: 2016-09-05T07:06:12.859Z
Creation Date: 2006-09-06T10:26:08.0Z
Registrar Registration Expiration Date: 2017-09-06T10:26:08.0Z
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Name Server: ns0.aquaray.com 2a02:ec0:200::2 195.14.22.2
Name Server: ns1.aquaray.com 195.14.22.148 2a02:ec0:200::3
DNSSEC: unsigned
URL of the ICANN WHOIS Data Problem Reporting System: http://wdprs.internic.net
>>> Last update of WHOIS database: 2017-07-17T01:35:09.128Z <<<

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  REGISTRAR COREHUB, S.R.L.

  REFERRER http://corehub.net

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NSERVER

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  CHANGED 2016-09-05

  CREATED 2006-09-06

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