Directory of in silico drug design tools
Stats
Alexa Rank:
Popular in Country:
Country Alexa Rank:
language: en
Response Time: 0.176989
SSL: Enable
Status: up
Code To Txt Ratio
Word Count 29579
Links
ratio 64.046817784235
SSL Details
SSL Issuer:
Issuer: R3
Valid From: 2022-05-28 19:34:08
Expiration Date: 2022-08-26 19:34:07
SSL Organization:
Signature 896e9c0aebdc61ba5c7de60efa99bae3d8ba5375
Algorithm: RSA-SHA256
vls3d.com - Virtual Screening Drug Design Bruno Villoutreix
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...
SwissDock - The online docking web server of the Swiss Institute of Bioinformatics - Home
SwissDock, a free protein ligand docking web service powered by EADock DSS by the Molecular Modeling group of the Swiss Institute of Bioinformatics.
Molecular Docking Server - Ligand Protein Docking & Molecular Modeling
Molecular Docking server helps you setup ligand & protein for molecular modeling & ligand docking using high-throughput virtual screening. It uses Autodock & Mopac for docking calculations.
/2D - 2D files organized by property for chemoinformatics /3D - 3D files by property for molecular docking screens /bb - building blocks - compounds in preparative quantitites /patterns - reagents by functional group, PAINS. /benchmarks - DUC benchmark. will contain DUDE /predictions - compounds with pSEA>=40 OR MaxTC>=40 /protomers...
Simulations Plus | Modeling & Simulation Software
We offer modeling and simulation software and solutions which bridge machine learning, PBPK/pharmacokinetics, quantitative systems pharmacology/QST
mcule
Mcule.com is the online drug discovery platform. It offers a unique solution for pharma and biotech companies by providing molecular modeling tools and the highest quality purchasable compound database.
www.openmolecules.org
Home Welcome to this website, which was created as a platform to publish cheminformatics tools in the hope to contribute something useful for synthetic and medicinal chemists. The Name To Structure page creates structure images from chemical names directly in the web browser. Some small Chemistry Apps must be downloaded...
Molsoft L.L.C.
About About MolSoft Contact Us Our Customers Careers News Events Products Product Overview ActiveICM ICM JavaScript iMolview ICM-Browser ICM-Browser-Pro ICM-Bio ICM-Pro &nbsp ICM-Homology &nbsp ICM-VLS ICM-Chemist ICM-Chemist-Pro MolCart MolCart Giga-Search MolCart Compounds MolScreen ICM-Scarab KNIME Nodes Downloads Download Request a Trial License Technology Technology Summary ICM-Modeling (PDF) Docking Ligand Editor...
Virtual Computational Chemistry Laboratory
This site provides free on-line tools, which we hope you will find helpful in performing computational chemistry, ADME/T and chemoinformatics tasks including the building and visualisation of chemical structures, the calculation of molecular properties and the analysis of relationships between chemical structure and properties. All these tools are developed, provided...
Shoichet Lab : Home
Fragment binding to the Nsp3 macrodomain of SARS-CoV-2 identified through crystallographic screening and computational docking. M Schuller, et al., Science Advances, 2021 Ligand Strain Energy in Large Library Docking. S Gu, et al., J. Chem. Inf. Model., 2021 Drug-induced phospholipidosis confounds drug repurposing for SARS-CoV-2. TA Tummino, et al., Science,...
Computational solutions for drug discovery
Cresset software for computational chemistry and Cresset Discovery a contract research organisation (CRO). Used by computational chemists, medicinal chemists and synthetic chemists in pharmaceutical, biotechnology, flavor, fragrance and agrochemical industries for ligand-based design and structure-based design to discover novel small molecules.
Home page of cheminfo website
Utility JSON viewer Convert tex latex for github JSoN text parse - stringify Convert image dataURL to image Font awsome interesting icons Nice tools on the internet RegExp explorer HTML Editor Markdown explorer JSON stringify Encode / decode base64 Convert image to image dataURL Parse Arduino multilog format JSON filter...
Supercomputing Facility for Bioinformatics & Computational Biology, IIT Delhi
We are the Providers of Genome Analysis Software , Protein structure prediction tool, In-sillico Drug design software, drug discovery, Bioinformatics, Bioinformatics, algorithms for Genome analysis, active site directed Drug Design, gene to drug, Bioinformatics and computational Biology facility, super computer access, research and development in bioinformatics, computational pathways for life sciences in India
Molecular Discovery Ltd.
Molecular Discovery are experts in applying GRID Molecular Interaction Fields to Drug Discovery problems, as well as using chemometric or statistical methods to relate chemical structure to biological property.
Software for life sciences research
BiochemLabSolutions.com provides software for work in biochemistry, molecular and structural biology, and drug development. SEQMOL (short for "SEQuences & MOLecules") can be used for multiple sequence alignments, analyses of electrostatics and solvation of proteins, nucleic acids and of their complexes, and for computation and mapping of conservation, covariation and other...
MN-AM – Multifaceted, innovative software to the chemical, biotechnology and pharmaceutical industry.
INSPIRING CHEMICAL DISCOVERY NAVIGATING CHEMICAL SAFETY EMPOWERING KNOWLEDGE Chemoinformatics Software for research and discovery laboratories Explore Products ChemTunes·ToxGPS ChemTunes·ToxGPS is a unique chemoinformatics platform and toxicity knowledgebase to support the chemical safety and risk assessment process of human health and regulatory-relevant endpoints. Learn More Previous Next Previous Next CORINA Symphony...
SwissADME
This website allows you to compute physicochemical descriptors as well as to predict ADME parameters, pharmacokinetic properties, druglike nature and medicinal chemistry friendliness of one or multiple small molecules to support drug discovery. The main article describing the web service and its underlying methodologies is SwissADME: a free web tool...
MolView
MolView is an intuitive, Open-Source web-application to make science and education more awesome!
Schrödinger | Schrödinger is the scientific leader in developing state-of-the-art chemical simulation software for use in pharmaceutical, biotechnology, and materials research.
Schrödinger is the scientific leader in developing state-of-the-art chemical simulation software for use in pharmaceutical, biotechnology, and materials research.
Home - Optibrium
elegant software that guides successful drug discovery elegant software that guides successful drug discovery innovative drug discovery technology The Optibrium team works at the forefront of decision-analysis and predictive modelling research, developing innovative products that enhance the efficiency and productivity of drug discovery. Contact Optibrium to trial our drug discovery...
Molecular Modeling Software | OpenEye Scientific
Molecular modeling and cheminformatics software tools built in the cloud to accelerate lead discovery and optimization in drug development.
Avogadro - Free cross-platform molecular editor - Avogadro
Avogadro - the advanced molecular editor and visualizer
Practical Fragments
11 July 2022 Fragments in the clinic: HTL9936 Of the 50+ fragment-derived drugs that have entered the clinic, only two (both from Sosei Heptares) target transmembrane proteins, reflecting the difficulty of structure-based design for this hard-to-crystallize class of proteins. The story behind one of them was published late last year...
Jmol: an open-source Java viewer for chemical structures in 3D
MOL MDL / Elsevier / Symyx structure (classic version V2000) V3000 MDL / Elsevier / Symyx structure (new version V3000) SDF MDL / Elsevier / Symyx structure (multiple models) CTFile MDL / Elsevier / Symyx chemical table (generic) CIF Crystallographic Information File - standard from the International Union of Crystallography...
gunda.hu
Honlap Mol2Mol Chemory POV-Ray POV-Ray és kémia Letölthető kémiai desktopok Nem kémia Cube images and radiosity Egyéb cube mapping példák POV-Ray projectek Kémiai rajzoló programok E-anyagok
Software for Molecular Modeling
Software for computer aided molecular modeling, molecular dynamic simulations and design. Molecular building, editing, molecular mechanics. Force Field development. Quantum chemistry
×î½ü¸üУº2021Äê12ÔÂ01ÈÕ ¸üÐÂÄÚÈÝ£º¹âÅ̹ºÂòÇëµã»÷ ×î½ü¸üУº2016Äê04ÔÂ05ÈÕ ¸üÐÂÄÚÈÝ£ºÖÊÁ£»æͼÈí¼þÀ¸Ä¿»æÖÆDNAÐòÁÐͼÈí¼þSnapGene Viewer 3.0.3Éý¼¶Îª3.1.2£»Ãâ·ÑÖÊÁ£»æͼÈí¼þpLOT 1.0.10dÉý¼¶Îª1.0.10h£»Ôö¼ÓÔÚÏßDNAÐòÁб༺ÍÖÊÁ£»æͼÈí¼þWebDSV¡£ÒÔÉÏÄÚÈÝ£¬Ôö¼Óµ½ÉúÎïÈí¼þDVD¹âÅÌ1£¨biosoftdvd1£©ÖС£ ×î½ü¸üУº2016Äê02ÔÂ29ÈÕ ¸üÐÂÄÚÈÝ£ºPCRÏà¹ØÈí¼þÈí¼þʵʱӫ¹â¶¨Á¿PCR·Ö×ÓÐűê(Molecular beacon )¼°TaqMan̽ÕëÉè¼ÆÈí¼þBeacon Designer 8.13 DemoÉý¼¶Îª8.14£»É¾³ýPCR½áºÏÌݶÈÄý½ºµçӾʵÑéÒýÎïÉè¼ÆÈí¼þTGGE-STAR£»¿ìËÙÉè¼Æ¸÷ÖÖÀàÐÍPCRÒýÎïÈí¼þFastPCR 6.5.04Éý¼¶Îª6.5.55£»ÊµÊ±RT-PCR·´Ó¦ÖйÀËã³õʼÀ©Ôö×ÓŨ¶ÈÈí¼þPCR Analyzer 1.02¸üÐÂÔʼÍøÕ¾£»Ôö¼ÓÒýÎï²éÕÒºÍÉè¼ÆÈí¼þPrimerFactoryQt 1.0.3¡£ÒÔÉÏÄÚÈÝ£¬Ôö¼Óµ½ÉúÎïÈí¼þDVD¹âÅÌ1£¨biosoftdvd1£©ÖС£×ÊÁϹâÅÌÈí¼þÀ¸Ä¿£¬¹âÅÌÆô¶¯µÄϵͳÉúÎïѧ²Ù×÷¹âÅÌϵͳSB.OS 0.8Éý¼¶Îª0.9. ×î½ü¸üУº2016Äê02ÔÂ19ÈÕ ¸üÐÂÄÚÈÝ£ºPCRÏà¹ØÈí¼þÈí¼þÐòÁзÖÎöÓëÒýÎïÉè¼ÆPrimer Premier 6.21 DEMOÉý¼¶Îª6.23£»ÒýÎï·ÖÎöÖøÃûÈí¼þOligo 7.58 DemoÉý¼¶Îª7.60£»Ãâ·ÑµÄÒýÎïÉè¼Æ¸¨ÖúÈí¼þPrimer D'Signer 1.1¸üÐÂÔʼÍøÕ¾ºÍÏÂÔصØÖ·£»ÅúÁ¿Éè¼ÆDNAºÍ¹ÑºËÜÕËáÒýÎ﹤¾ßArray Designer 4.41 DemoÉý¼¶Îª4.43£»DNA·ÖÎöÈí¼þÀ¸Ä¿Ôö¼ÓÐòÁÐÊý¾Ý·ÖÎöÏÔʾÈí¼þAvalanche Workbench 2.0.9¡£ÒÔÉÏÄÚÈÝ£¬Ôö¼Óµ½ÉúÎïÈí¼þDVD¹âÅÌ1£¨biosoftdvd1£©ÖС£Í¼ÊéÈí¼þ´ú¹º£¬Ôö¼ÓPAUP* 4 ½ø»¯·ÖÎöÈí¼þÏúÊÛ¡£ ×î½ü¸üУº2016Äê02ÔÂ02ÈÕ ¸üÐÂÄÚÈÝ£ºÖÊÁ£»æͼÈí¼þÀ¸Ä¿ÖÊÁ£»æÖƹ¤¾ßÓëDNA·ÖÎö¹¤¾ßpDRAW32 1.1.122Éý¼¶µ½1.1.129²¢¸üÐÂÏÂÔØÁ´½Ó£»ÖÊÁ£¹¹½¨ÓëÏÔʾ¼°»æÖÆÈí¼þApE 2.0.47Éý¼¶Îª2.0.49£»Ãâ·ÑÖÊÁ£´¦Àí³ÌÐòPlasmaDNA 1.4.2¸üÐÂÔʼÍøÕ¾ºÍÏÂÔصØÖ·£»ÓÃÓÚ»æÖÆdnaÐòÁÐͼÐΡ£°üÀ¨ÖÊÁ£µÄ»æÖÆSnapGene Viewer 1.0Éý¼¶Îª3.0.3£»Ãâ·ÑÖÊÁ£»æͼÈí¼þpLOT 1.0.5dÉý¼¶Îª1.0.10d¡£ÒÔÉÏÄÚÈÝ£¬Ôö¼Óµ½ÉúÎïÈí¼þDVD¹âÅÌ1£¨biosoftdvd1£©ÖС£ ¡¡¡¡ÉúÎïÈí¼þÍøÌṩµÄÉúÎïÐÅϢѧÈí¼þÓëÉúÎïÐÅϢѧÊÓƵ¡¢Í¼Ïñ¡¢Â¼Ïñ¡¢Í¼ÊéºÍ¹âÅÌ×ÊÁÏÔ½À´Ô½¶à£¬¸ø´ó¼ÒÏÂÔØ´øÀ´Ðí¶àÂé·³£¬²»½ö½öÊÇÏÂÔØ·ÑÓõÄÔö¼Ó£¬¸üÖ÷ÒªÊǺķÑÁË´ó¼ÒÐí¶à±¦¹óµÄʱ¼ä¡£Òò´Ë£¬±¾Õ¾ÍƳöÁËÉúÎïÐÅϢѧϵÁйâÅÌ£¬¹âÅ̵ÄÄÚÈÝÓëÉúÎïÈí¼þÍøÄÚÈÝÍêÈ«Ò»Ö£¬°üÀ¨¼Ä³ö¹âÅÌʱ£¬ÉúÎïÈí¼þÍøËùÌṩµÄËùÓÐÉúÎïÐÅϢѧÈí¼þ¡¢Â¼Ïñ¡¢ÊÓƵ¡¢¶¯»¡¢Í¼ÏñºÍ×ÊÁÏ£¬Ö»Òª¹ºÂòÉúÎïϵÁйâÅÌ£¬±ãÄܽÚÊ¡ÏÂÄã´óÁ¿±¦¹óµÄʱ¼ä£¬¶øÇÒ±ãÓÚЯ´ø£¬·½±ãʹÓð²×°¡£¾ßÌ幺Âò·½·¨Çë²é¿´ÉúÎï¹âÅ̳öÊÛÀ¸Ä¿£¬Èç¹ûÄúÔÚ¹úÍ⣬ÐèÒª¹ºÂò±¾Õ¾µÄÉúÎïϵÁйâÅÌ£¬Çëµã»÷½øÈë¡£ ¡¡¡¡ÉúÎïÈí¼þÍø·þÎñ¹ã´óÉúÎï¿Æѧ¹¤×÷Õߣ¬Îª´ó¼ÒÌṩ´ú¹º·þÎñ£¬¿É´ÓÊÀ½çÉÏ×î´ó×îÓÐÃûµÄÍøÉÏÊéµêAMAZON.COM´ú¹ºÈκÎÕýÔÚÏúÊÛµÄÔ°æͼÊ飬¾ßÌåÇë²Î¿´Ô°æÊé´ú¹ºÀ¸Ä¿£¬Í¬Ê±£¬ÉúÎïÈí¼þÍø»¹Ìṩ԰æÈí¼þ´ú¹ºÀ¸Ä¿£¬¿É´Ó»¥ÁªÍøÉÏÖ±½Ó¹ºÂò¹úÍâµÄÔ°æÈí¼þ£¨²»ÏÞÓÚÉúÎïÈí¼þ£©£¬×¢²á¹²ÏíÈí¼þ£¬¾ßÌåÇë²é¿´¹úÍâÕý°æÈí¼þ´ú¹ºÀ¸Ä¿¡£ ¡¡¡¡ÓÑÇéÁ´½Ó£º²©ÅÉ´´ÒâСÆÌ£¬½éÉܸ÷Àà´´Òâ²úÆ·£¬»¶Óä¯ÀÀ¡£ ¡¡¡¡ÉúÎïÈí¼þÍøÐèÒª´ó¼ÒµÄ¹²Í¬½¨Éè¡£³¤ÆÚÕ÷¼¯ËùÓб¾Õ¾Ó¢ÎÄÉúÎïÐÅϢѧÈí¼þµÄÖÐÎÄʹÓÃ˵Ã÷£¬ºÍÉúÎïÐÅϢѧÈí¼þÈí¼þʹÓõÄ×ÛºÏÐÔÎÄÕ£¬¸ù¾Ý¹¤×÷Á¿´óС£¬²¢±»±¾Õ¾Â¼Ó㬻òÕ߶Ա¾Õ¾×ö³öÆäËû¹±Ï×£¬ÔùËÍ2Õŵ½È«Ì×¹âÅÌ¡£Èç¹ûÄãÔÚÄãµÄÎÄÕÂÖеÄÈκεط½Ìáµ½ÉúÎïÈí¼þÍø¼°ÆäÍøÖ·£¬²¢ÇÒÔÚ¹«¿ª³ö°æµÄÔÓÖ¾±¨Ö½ÉÏ·¢±í£¬ÎÒ½«Ãâ·ÑÌṩÈÎÒâ10Õű¾Õ¾¹âÅÌ¡£Ï£Íû´ó¼Ò»ý¼«ÏìÓ¦¡£ ¡¡¡¡ÏÖÔÚÕÙ¿ªµÄ¸÷¸öÉúÎïÀàѧÊõ»áÒ飬ÍùÍùÓйâÅ̲ÄÁÏÔùËÍÓë»á´ú±í£¬ÄÇô¶àµÄѧÊõ»áÒé´ó¼Ò²»¿ÉÄܶ¼È¥²Î¼Ó£¬Òò´Ë£¬ÉúÎïÈí¼þÍøÕ÷¼¯¸÷¸öÉúÎïÀàѧÊõ»áÒéµÄµç×Ó²ÄÁÏ£¬·²Ìṩ×îÐÂѧÊõ»áÒéµç×Ó²ÄÁϵÄÅóÓÑ£¬ÎÒ½«Ãâ·ÑÌṩÈÎÒâ6Õű¾Õ¾¹âÅÌ¡£...
Noel O'Blog
Friday, 3 June 2022 Diagnosing problems with SMILES For my poster at the upcoming ICCS, I wanted to categorise any problems with the SMILES strings generated by a recurrent neural network. I did this using the partialsmiles library, a validating SMILES parser I wrote a little while ago. The speciality...
SwissTargetPrediction
Target prediction has been submitted. Calculations can take up to one minute. Please be patient. This website allows you to estimate the most probable macromolecular targets of a small molecule, assumed as bioactive. The prediction is founded on a combination of 2D and 3D similarity with a library of 370'000...
NaveeNBioinforMaTics-any thing about bioinformatics
if you are related to bioinformatics then this blog can help you in many manner,you can get all the updates related to bioinformatics.
eMolecules
Free chemical structure search engine with millions of public domain structures from vendors worldwide.
Clinical Research Development Ireland
Clinical Research Development Ireland CRDI has been Voluntarily Wound Up The importance of excellent and nationally coordinated clinical research is now more evident than ever before, and Irish higher educational institutions involved in clinical research are wholeheartedly committed to its success. It has been recognised by the Board of Directors...
OTAVAchemicals, Ltd - synthetic organic compounds for research and drug discovery
Otava, Ltd. - synthetic organic compounds and chemical building blocks for research and drug discovery
ChemDoodle | Chemical Drawing Software
Chemical drawing and publishing software for desktop, web and mobile. Affordable and used by thousands of scientists around the world. Free trial available for immediate download.
Way2Drug | Understanding Chemical-Biological Interaction
Effective Solutions Diseases–targets–ligands relationships, mechanisms of drug action, drug indications & repurposing, safety & risk assessment. Learn More Success Stories Examples of use of our computational tools in drug discovery. Learn More Personal Workspace Storage and retrieval of structures and predictions, networking with the other participants of Way2Drug Community. Learn...
Molinspiration Cheminformatics
Cheminformatics software, calculation of molecular properties, prediction of bioactivity, virtual screening, molecular databases ...
BioPharmaTrend: covering emerging technologies, innovations, and companies | BioPharmaTrend
BiopharmaTrend is a biotech market research platform, focused on AI and other emerging technologies.
YASARA - Yet Another Scientific Artificial Reality Application
Click here for instant download of the free YASARA View! NEW: YASARA builds and visualizes gigastructures with billions of atoms, employing coarse-grained MD for the construction. Contribute your own models to the PetWorld database. WELCOME TO About YASARA - Watching Nature@Work YASARA is a molecular-graphics, -modeling and -simulation program...
D3R | Welcome...
An open resource to advance computer-aided drug discovery through the interchange of high quality protein-ligand datasets, workflows and community-wide blind data
Home | Cambridge MedChem Consulting
High-Throughput Screening analysis Screening or Focused molecular Library Design Fragment-based screening support Hit to Lead project supervision Lead optimisation Computational support, in particular virtual screening and QSAR analysis. Licensing oversight Drug Discovery Resources an online resource for scientists undertaking drug discovery Training courses on the drug discovery process and medicinal...
Computer aided molecular design, drug design, QSAR, Molecular Modeling Software
Computer aided molecular design and drug design company offering Molecular docking, QSAR, 2D QSAR, 3D QSAR, Molecular modeling, Homology modeling, Fragment based drug design, Docking software, Combinatorial library generation, Virtual screening, Ligand screening, ADME screening, Scaffold hopping, Lead screening, Pharmacophore and Protein ligand docking
Open Babel
Open Babel: The Open Source Chemistry Toolbox Open Babel is a chemical toolbox designed to speak the many languages of chemical data. It's an open, collaborative project allowing anyone to search, convert, analyze, or store data from molecular modeling, chemistry, solid-state materials, biochemistry, or related areas. Ready-to-use programs, and complete...
Meiler Lab
News Page Congratulations to Jens Meiler for being elected a 2021 AAAS fellow! 2022-02-10 Jens Meiler has been elected a 2021 fellow by the American Association for the Advancement of Science (AAAS) for his contribution in protein structure prediction and design! Six other members of the Vanderbilt University community were...
Drug Discovery CRO Services | Sygnature Discovery
Sygnature Discovery are a leading drug discovery CRO with expertise across a range of therapeutic and biological target classes. An expert partner in disciplines including Medicinal and Computational Chemistry, In Vitro and In Vivo Pharmacology, DMPK, supported by informatics.
IQmol Molecular Viewer
IQmol IQmol is a free open-source molecular editor and visualization package. It offers a range of features including a molecular editor, surface generation (orbitals and densities) and animations (vibrational modes and reaction pathways). IQmol is written using the Qt libraries which enables it to run on a range of platforms...
Chemical Structure Drawing and Display Software for Desktops and Tablets - ChemWriter
Deploy Everywhere IE9+, Chrome, Firefox, Safari, Edge, Brave, and Opera Dedicated touch interface Works with CSS Grid and Flexbox Write Clean Code Non-blocking I/O functions Single global object Unobtrusive startup Customize Style UI components with CSS Fine control over structure drawing Compatible with dynamic content generation No More Raster Images...
Macs in Chemistry Home | Macs in Chemistry
Welcome! This site is intended to provide a resource for chemists using Apple Macintosh computers. The links in the sidebar give access to a variety of resources that I hope you will find valuable. Have a look at the MacInChemBlog for the latest news, tips and comments. One particularly population...