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Jun 04, 2018

New REAL Space Navigator 2.0 Breaks Billion Compound Barrier

With optimised algorithms and more chemistry knowledge included, the updated REAL Space Navigator gives ’search and find‘ access to an incredible 3.8 billion compounds ready for purchase. More information can be found in the press release.

Mar 16, 2018

REAL Space Navigator updated with more scaffold hops

Were you surprised not to find the right small or fragment-like molecules in the 650 million compounds REAL Space? With this update to version 1.1, we have increased the search power to include the 122,000 in-stock Enamine building blocks. Beyond similarity-based analoging, you may explore the SAR around your query, design libraries, and simply scaffold hop. Your information stays on your computer when navigating the REAL Space.

Feb 08, 2018

Release of the REAL Space Navigator.

Enamine and BioSolveIT are happy to announce the world’s largest searchable chemical space for novel compound sourcing. Find out how to explore 647,141,139 molecules in the press release or sign up for our explanatory webinar.

Jul 25, 2017

Avergen and BioSolveIT backed by PERMIDES grant for personalized medicine

BioSolveIT and Avergen win a prestigious PERMIDES grant from the European Union to fight against cancer exploiting protein-protein interaction inhibition.

Read the full press release here:
www.biosolveit.de/press/archive/2017-07-25_Avergen.html

Jul 19, 2017

LeadIT 2.3.0 — the Mac joins the party !

As of today, BioSolveIT have released a new version of their popular drug design software LeadIT. LeadIT can dock, visually score, link/merge/grow fragments, rescaffold, and tons more.

Download your copy today from www.biosolveit.de/download.

PS:
If you are a MedChem, Agro-Chemist, or computational novice:
Try SeeSAR, the streamlined decision assistance for any chemist.

Jun 27, 2017

SeeSAR 6.0 is out!

The world’s most popular medicinal chemistry design software has gotten completely revamped! Covering now more use cases than ever, the medicinal chemist can e.g.

  • Design directly in situ
  • Monitor affinity and important ADME/T properties on-the-fly
  • Exchange a core element of the ligand in seconds
  • Work with multiple proteins at the same time
  • Seamlessly port molecules over to StarDropTM

Evaluate SeeSAR today by downloading it from here:

https://www.biosolveit.de/SeeSAR/   -> download

Direct all questions to support@biosolveit.de

 

Mar 02, 2017

Deadline for Summer Challenge 2017: May 24th!

If you are an academic or independent researcher you may submit your proposal for our Summer Challenge 2017 until Wednesday, May 24. Each submission gets the chance to win a EUR 1,000 travel grant to a high profile conference.

More information, terms and conditions and how to submit your proposal can be found here:

https://www.biosolveit.de/challenge/

Sep 16, 2016

FTrees 3. Now parallelized, much improved, and on the Mac.

Our FTrees Fuzzy Similarities are now available in an almost entirely re-written version that runs better and much faster. It uses all your CPUs, has an improved chemistry model behind, for example realizing different tautomers as multiple faces of the same molecule. Also you can use it in a single line with an infinitely large number of molecules in your input file. Oh, and it creates beautiful graphics of your matches, so that we can all understand WHY two molecules are seen similar or not — and the best of it all: It runs on a Mac.
Get it!

Jul 22, 2016

New SeeSAR is out (v5.2), feat. new surfaces, magic rescaffolding and more.

What is SeeSAR? It is every chemist's 3D SAR & ADME dashboard and design tool

Besides a ΔG estimation, torsional analyses, a wealth of Optibrium®-powered ADME estimations, it lets you design and assess your ideas on-the-fly.

The new version will delight you with an unseen rescaffolding engine inspired by our blockbuster tool ReCore, you can enjoy new, colored surfaces, get your binding site visualization crystal clear using intelligent residue selections and a few more goodies.

The full list of novelties is described here.

Download your copy from our download page.

Jul 04, 2016

new SeeSAR v5.1 hops scaffolds: the first ReCore functions are online!

  • ReCore Instant Rescaffolding — early integration
    Many of you will already know our award winning software ReCore. This release includes a sneak preview of the upcoming ReCore integration into SeeSAR. As this is only a preview release, you will need to carry out a few steps of preparation to discover its benefits: Ludicrously fast proposals from gigantic fragment libraries.
  • Now it is simple to rename your molecules
    Double-click on the molecule to type in a new name — this is particularly useful for putting names to results of your molecule editing.
  • Access your files and download history more easily with the centralized loader
  • Molecule annotation now only one click away
    The molecule annotation is now directly accessible with one click on the triangle mark to the left of the table rows. Mouse-over shows you your annotations while a click opens a small editor to edit them.

More about SeeeSAR: biosolveit.de/SeeSAR

Download your copy here: biosolveit.de/download

Jun 01, 2016

SeeSAR 5 is out, includes visual editing of covalent ligands

As of this night, SeeSAR v5 is out for your 2016 style Lead Optimization!

A selection of improvements and novelties:

  • 10 times speed-up in browsing ligands.
  • Visual editing of covalent binders
  • Project recovery feature to support older project files.

Download your package here. Includes a free 7 days license!

May 31, 2016

webinar: Bruton’s Tyrosine Kinase – the story of two inhibitors

Our June webinar will be touching on two recently published stories on Btk: one by Takeda and one by Genentech. Both came up with different strategies to develop a lower molecule weight inhibitor than ibrutinib. We will showcase both strategies in SeeSAR and show how SeeSAR can be used to come up with the right compound.

The registration for the webinar is now open!

May 17, 2016

BioSolveIT wins Evotec to search the molecular universe for better drug candidates

St. Augustin, Germany, May 17th 2016 – Today, we announce a strategic partnership with Evotec AG ("Evotec") to create an immeasurably large molecular search space. The database, so-called 'EVOspace' will act as a gigantic "pool" of virtual molecules from which to mine novel, synthetically accessible molecular entities for drug research.

Read the full press release here.

May 12, 2016

a new version of LeadIT (2.1.9), our comprehensive SBLD and FBLD suite, is out.

We included minor fixes and an adaptation to a new PDB/RSCB download location. LeadIT includes state-of-the-art tools for docking & scoring, fragment-based design, and visualization de luxe.

Download from biosolveit.de/download

Mar 18, 2016

new SeeSAR 4.2 for SAR and Lead Optimization is out

Download here.

The new release sports:

  • The next step in ‪‎covalent‬ binder handling:
    Ligands are no longer static but are now optimized within the HYDE Visual Affinities framework.
  • Process many protein-ligand ‪‎PDB‬ files automatically:
    The ligands are carved out and assessed with HYDE.
  • We augmented platform support with a MS Windows™ 64bit version.
  • Control when HYDE Affinities are computed. Especially helpful if you have many ligands.
  • Plus enhanced filtering, a ‪Windows‬ command line, and more space for loading in SD properties.

Mar 18, 2016

Zealand & BioSolveIT create new therapeutic peptide drug design and development tool

March 14, 2016 - Zealand and BioSolveIT create unique software tool, adding new dimensions to peptide drug design and development.

  • Combining Zealand’s expertise in peptide design and its extensive knowledge database with BiosolveIT’s chemical informatics software capabilities
  • The tool, which is named PepSee, will help Zealand accelerate peptide design with the potential to support innovation and push the boundaries of peptide research
  • The collaboration is in line with Zealand’s strategy to enhance its leading position in the field of peptide-based medicines

The full press release is here.

Mar 14, 2016

BioSolveIT announces the 3 winners of the Winter Challenge’s phase 1

The 3 winners of our Winter 2015’s phase 1 (first 3 months) have been determined, and believe us, it was a hard decision! All contestants had great results and compelling summaries, and it was really hard to find the little differences that in the end determined who advanced to the next phase: the following 9 months. Our winners who advance to the next phase are:
  1. Maria Letizia Barecca: Identification of pharmacological chaperones for cellular prion protein
  2. Graeme Rogers: Is there an allosteric site in TCTS?
  3. Andrea Astolfi: Structure-Based optimization of a new chemical scaffold acting as p38α MAPK inhibitor
In the next 9 months these 3 will battle over the final title and a travel grant of €1,000 to a high impact conference. We will report on the challenge site (www.biosolveit.de/challenge) about each of their topics in more details. Watch this space!

Mar 11, 2016

SeeSAR’s 3D comes to Optibrium’s StarDrop

Optibrium announces next version with SeeSAR integration.

The next step in the outstanding collaboration between Optibrium and BioSolveIT is announced:

A new, seamless link between 2D and 3D structure-activity relationships guides more efficient
compound optimisation in StarDrop. The high speed and appealing 3D visualization plus analysis functions from SeeSAR, every chemist's SAR assistant, are now integrated in Optibrium's powerful ADME suite.


Read the full press release, and stay with us for more outcomes of our joint efforts.

Feb 29, 2016

„JournĂ©e de ModĂ©lisation pour tous“ in Toulouse, France (in French)

BioSolveIT vous invite à une journée "Modélisation pour tous chimistes" à Toulouse en Avril/Mai 

Ce workshop s'adresse à tous ceux qui cherchent des nouvelles molécules thérapeutiques.

Avec le logiciel SeeSAR (site web SeeSAR), qui représente une interface graphique dédiée à l’optimisation visuelle de l’interaction ligand-récepteur, on apprendra les notions de base de la modélisation "structure-based": docking et scoring, analyse conformationelle etc.

SeeSAR, conçu pour être facile à utiliser, permet le calcul de propriétés physico-chimiques, d’affinité, et facilite les modifications de la molécule afin d’utiliser au mieux l’espace disponible au sein du site de liaison. Vous trouverez plus de détails sur le site dont l'adresse est mentionné ci-dessus.

La rencontre aura lieu sur Toulouse pendant une journée: une matinée d'introduction et présentation, suivie (optionnellement, pour ceux qui souhaitent y participer) par un entrainement pratique, avec la distribution de licences gratuites personnelles de 6 mois - exclusivement pour les adhérents SCT (Société de Chimie Thérapeutique).

Si vous êtes intéressé(e)s, veuillez marquer vos préférences concernant les dates (et la participation dans l’entrainement) dans le questionnaire Foodle à l’adresse suivante:

Je participe! (questionnaire Foodle)

Pour pouvoir joindre le maximum des personnes potentiellement intéressées par l’utilisation de visualisation et modélisation, on vous demande d’avoir la gentillesse de transmettre ce message à vos collègues chimistes médicinaux et modélisateurs.

Feb 19, 2016

BioSolveIT & Optibrium invite you to a free 1-day symposium

Boston Skyline

Streamlining Drug Discovery and Development
11th April, 2016
Takeda, Boston, MA, USA

The symposium targets medicinal chemists and modelers; we have invited high pitch speakers, and the focus will lie on leveraging data effectively, and visual modelling support for compound design. We are grateful to Takeda, Boston for hosting this event.
More details, including registration, program, and speakers are available here.