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BioSolveITTutorials uploaded a video 3 weeks agowebinar recording: introduction to SeeSAR 6.0 - Duration: 59 minutes.
The design of SeeSAR has changed a lot and many new features – like multi-protein handling – have been implemented. This webinar shall give you an update of the recent changes and guide you through... -
BioSolveITTutorials uploaded a video 1 month ago
discovery of a low molecular weight inhibitor for BTK - Duration: 13 minutes.
The discovery of a low molecular weight inhibitor for Brutons Tyrosine Kinase as published by Takeda (http://pubs.acs.org/doi/abs/10.1021/acs.jmedchem.5b00734) has been recapitulated with SeeSAR, a... -
BioSolveITTutorials uploaded a video 1 month ago
Getting started with SeeSAR - Duration: 13 minutes.
Getting acquainted with the basic features of SeeSAR: Loading, Analyzing, Editing.
https://www.biosolveit.de/SeeSAR -
BioSolveITTutorials uploaded a video 1 month ago
Binding Site Definition in SeeSAR - Duration: 2 minutes, 31 seconds.
To define, in which binding site SeeSAR should calculate the qualitative affinity, you can either select a co-crystalized compound, or an allosteric or apo site, calculated with the integrated DogS... -
BioSolveITTutorials uploaded a video 1 month ago
An introduction to SeeSAR - Duration: 3 minutes, 23 seconds.
SeeSAR is a software tool for interactive, visual compound prioritization as well as compound evolution. This video provides a brief tutorial-style introduction.
https://www.biosolveit.de/SeeSAR -
BioSolveITTutorials uploaded a video 1 month ago
Covalently bound inhibitors - Duration: 3 minutes, 20 seconds.
1/3 of marketed drugs are covalent binders. Use SeeSAR to increase your drug’s target occupancy for more effective treatment!
https://www.biosolveit.de/SeeSAR -
BioSolveITTutorials uploaded a video 1 month ago
Let SeeSAR help you find a "magic methyl" - Duration: 5 minutes, 2 seconds.
The affinity prediction method within SeeSAR is well able to explain very steep activity cliffs. We demonstrate this on the basis of a classical magic methyl case of a p38 Map Kinase as discovered ... -
BioSolveITTutorials uploaded a video 1 month ago
Rescaffolding in SeeSAR with ReCore - Duration: 3 minutes, 57 seconds.
How to use the amazing ReCore rescaffolding machinery in SeeSAR. Protein clash filtering, pharmacophore etc - all this to be added soon.
https://biosolveit.de/SeeSAR -
BioSolveITTutorials uploaded a video 1 month ago
Handling water molecules in SeeSAR - Duration: 2 minutes, 41 seconds.
SeeSAR enables you to manually select water molecules to be either conserved (clash test still applies) or to be excluded from the active site.
https://www.biosolveit.de/SeeSAR -
BioSolveITTutorials uploaded a video 2 months ago
webinar recording: resolving the question of on- or off-target toxicity – a case study - Duration: 53 minutes.
The question of whether toxicity caused by small molecules is due to on-target or off-target pharmacological effects is frequently encountered in drug discovery programs and of decision making sign... -
BioSolveITTutorials uploaded a video 4 months ago
webinar rec: structure-based discovery of new chemical scaffolds acting as p38α MAPK inhibitors - Duration: 27 minutes.
p38α mitogen-activated protein kinase (MAPK) is an important molecular switch involved in the regulation of many pathways, such as pro-inflammatory signaling networks and cytokines biosynthesis. A ... -
BioSolveITTutorials uploaded a video 5 months ago
webinar recording: fragment-based drug discovery in an integrated informatics environment - Duration: 42 minutes.
From the outset, Astex have committed to developing a highly integrated informatics platform for fragment-based drug discovery. This ensures scientists from all disciplines have all relevant data a... -
BioSolveITTutorials uploaded a video 6 months ago
webinar recording: early drug discovery experiences from a small biotech - Duration: 48 minutes.
The remit of MRC Technology, a charity and small biotech, is to help accelerate the process of target validation and generating tool compounds for enabling further exploration of new targets (as pr... -
BioSolveITTutorials uploaded a video 7 months ago
webinar recording: structure-based design of riboswitch and kinase ligands - Duration: 31 minutes.
Structure-based ligand design is an integral part of modern drug discovery. However, depending on how established a target is, different challenges arise. An example for targets with little present... -
BioSolveITTutorials uploaded a video 9 months ago
webinar recording: on the origins of three-dimensionality in drug-like molecules - Duration: 30 minutes.
Many medicinal chemistry-relevant structures and core scaffolds tend toward geometric planarity, which hampers the optimization of physicochemical properties desirable in drug-like molecules. As ch... -
BioSolveITTutorials uploaded a video 10 months ago
webinar recording: computational design of Glycomimetic inhibitors — prospects and limitations - Duration: 54 minutes.
Carbohydrates represent the most abundant class of molecules in nature and are involved in inflammation, cancer, and infectious disease. Consequently, the design of molecules that mimic structural ... -
BioSolveITTutorials uploaded a video 11 months ago
webinar recording: Fragment space searches in pharmaceutical research - Duration: 32 minutes.
Chemical fragment spaces consist of molecular fragments and corresponding connection rules. The introduction of this talk deals with the question why searches in chemical fragment spaces are valuab... -
BioSolveITTutorials uploaded a video 1 year ago
webinar recording: docking and scoring for beginners - Duration: 57 minutes.
Our successful beginners' webinar about docking, i.e., "Getting the ligand in" from 2015 reached more than 3.000 viewers. In this webinar with an Asia-compatible timing, we update everyone with a s... -
BioSolveITTutorials uploaded a video 1 year ago
"Sneak Preview"-Rescaffolding in SeeSAR 5.1 with ReCore under the hood - Duration: 2 minutes, 9 seconds.
How to use the amazing new ReCore sneak preview rescaffolding machinery in SeeSAR 5.1. Protein clash filtering, pharmacophore etc - all this to be added soon.
Download the fragments and get more ... -
BioSolveITTutorials uploaded a video 1 year ago
webinar recording: Bruton's Tyrosine Kinase inhibitors: two strategies showcased in SeeSAR - Duration: 41 minutes.
In this webinar we will show you two exciting applications using SeeSAR. Two strategies for novel inhibitors against Bruton's Tyrosine Kinase, one by Takeda and one by Genentech. Both examples bene... -
BioSolveITTutorials uploaded a video 1 year ago
Getting started with SeeSAR - Duration: 7 minutes, 41 seconds.
Getting acquainted with the basic features of SeeSAR: Loading, Analyzing, Editing.
http://www.biosolveit.de/SeeSAR -
BioSolveITTutorials uploaded a video 1 year ago
webinar recording: the power of linked open data - Duration: 52 minutes.
With the public availability of large integrated data sources such as the Open PHACTS Discovery Platform, retrieval of data sets for certain protein targets of interest measured under consistent as... -
BioSolveITTutorials uploaded a video 1 year ago
application story: discovery of a low molecular weight inhibitor for BTK - recapitulated with SeeSAR - Duration: 14 minutes.
The discovery of a low molecular weight inhibitor for Brutons Tyrosine Kinase as published by Takeda (http://pubs.acs.org/doi/abs/10.1021/acs.jmedchem.5b00734) has been recapitulated with SeeSAR, a... -
BioSolveITTutorials uploaded a video 1 year ago
webinar recording: a strategy to combat multidrug-resistant bacteria - Duration: 39 minutes.
Approved drugs containing thiols as inhibitors of Metallo-β-Lactamases
Antibiotic resistance in bacterial pathogens is one of the major threats regarding human health. An alarming trend is the spr... -
BioSolveITTutorials uploaded a video 1 year ago
webinar recording: SeeSAR hands-on walkthrough - Duration: 54 minutes.
Make the most of your SeeSAR installation! This webinar will guide you through the most important problem-solving features of the popular medicinal chemistry software SeeSAR. Since the advent of AD... -
BioSolveITTutorials uploaded a video 1 year ago
webinar recording: de novo design in the synthetically accessible compounds universe - Duration: 1 hour, 3 minutes.
No matter how big your in-house library and no matter how many compounds you acquire as supplement, it merely scratches the surface of what chemists are capable of synthesizing. Recent publications... -
BioSolveITTutorials uploaded a video 1 year ago
webinar recording: SeeSAR as a tool for more efficient drug pipelining - Duration: 1 hour, 6 minutes.
Today's drug discovery pipelines are under a lot of pressure. Although in the past years (since 2010) the approval rate of the FDA has slightly increased, pharma companies are still searching for w... -
BioSolveITTutorials uploaded a video 1 year ago
webinar recording: ADME modeling with 2D and 3D multi-parameter optimization in compound design - Duration: 1 hour, 4 minutes.
Join us for a highly instructive webinar on ADME modeling in compound design. Optibrium's CEO, Dr. Matt Segall, will introduce you into the development and validation of quantitative structure-acti... -
BioSolveITTutorials uploaded a video 1 year ago
webinar recording: the Edelris Discovery ENgine (EDEN) - Duration: 41 minutes.
Edelris has pioneered for the past decade the design and synthesis of innovative, natural product-like small molecules (Keymical Collections(TM)) and generated its own Keymical Space(TM) representi... -
BioSolveITTutorials uploaded a video 1 year ago
webinar recording: scaffold hopping in medicinal chemistry — applications using ReCore - Duration: 55 minutes.
This talk will give an overview of the importance of scaffold hopping in practical medicinal chemistry applications. It will introduce the relevance of the topic and potential pitfalls by means of ... -
BioSolveITTutorials uploaded a video 1 year ago
webinar recording: proteins — from crystal structures to molecular design input - Duration: 1 hour, 9 minutes.
Nearly every structure-based molecular design endevour starts with a crystal structure, however, the path from raw PDB files to the input necessary for detailled molecular modelling is not always o... -
BioSolveITTutorials uploaded a video 1 year ago
SeeSAR handles covalent binders - Duration: 3 minutes, 32 seconds.
1/3 of marketed drugs are covalent binders. Use SeeSAR to increase your drug’s target occupancy for more effective treatment!
http://www.biosolveit.de/SeeSAR -
BioSolveITTutorials uploaded a video 1 year ago
Handling water molecules in SeeSAR - Duration: 2 minutes, 28 seconds.
SeeSAR enables you to manually select water molecules to be either conserved (clash test still applies) or to be excluded from the active site.
http://www.biosolveit.de/SeeSAR -
BioSolveITTutorials uploaded a video 1 year ago
webinar recording: visual and easy-to-use computer help for staying critical in SBDD - Duration: 1 hour, 3 minutes.
"We tend to believe that PDB files are a message from God." — This recent statement from blogger and Vertex scientist Dr. Derek Lowe ironically captures the danger of getting lost in false assumpti... -
BioSolveITTutorials uploaded a video 2 years ago
webinar recording: surfing at the interface of chemistry and biology - Duration: 50 minutes.
Imagine all data about compounds and their related biological targets were easily accessible in on just one web-interface. ChemBioNavigator (CBN) is such a web-application that was specifically des... -
BioSolveITTutorials uploaded a video 2 years ago
webinar recording: living a dream: in silico L.O. for MedChems - Duration: 1 hour.
"Leave modeling to the experts!" — Today's working conditions put pressure on this mantra:
Research must live with less workforce and faster results are expected; on the other hand, new algorithms,... -
BioSolveITTutorials uploaded a video 2 years ago
webinar recording: predicting binding affinity doesn't work — or does it? - Duration: 1 hour, 9 minutes.
Predicting binding affinity is still regarded as the holy grail. With SeeSAR, however, we are one step closer to accurately and reliably predict a protein-ligand's binding affinity. What one often ... -
BioSolveITTutorials uploaded a video 2 years ago
webinar recording: Better compounds faster? Focused library design for the 21st Century - Duration: 1 hour, 33 minutes.
The synthesis of target focused libraries is a core task in medicinal chemistry. In this webinar we will demonstrate how you can use your protein structure(s) to help select optimal commercially av... -
BioSolveITTutorials uploaded a video 2 years ago
webinar recording: unravel the powers of virtual screening in Pipeline Pilot® - Duration: 1 hour, 9 minutes.
Drug Discovery is a multi-faceted, multi-parameter optimization problem. A big pain in the process is that there is no one solution for everything. The result is a tremendous loss in efficiency. Ph... -
BioSolveITTutorials uploaded a video 2 years ago
webinar recording: SeeSAR as a tool for compound prioritization - 21st century drug discovery - Duration: 43 minutes.
With today's pharma projects under increased pressure, it is necessary to put more emphasis on how the medicinal chemists can be helped achieve their goals faster. Given the vast amount of compound... -
BioSolveITTutorials uploaded a video 2 years ago
webinar recording: In silico methods in fragment-based drug design - Duration: 1 hour, 6 minutes.
Computational tools are invaluable in the process of identifying high-quality fragment hits. In this one hour BioSolveIT webinar you will learn how to fast-track your fragment hit discovery using o... -
BioSolveITTutorials uploaded a video 2 years ago
webinar recording: enhance productivity by engaging MedChem know-how early on in the CADD phase - Duration: 1 hour, 8 minutes.
Did you know that shaving two months off the Hit2Lead/LeadOpt phase can save you about $10m?
Let us introduce you to a whole new way of leveraging MedChem know-how early on in the CADD phase and th... -
BioSolveITTutorials uploaded a video 2 years ago
webinar recording: the best of all worlds — a drug discovery tool pipeline - Duration: 53 minutes.
BioSolveIT offers a comprehensive suite of world-leading products covering structure-based, ligand-based and fragment-based design. But did you know that through the intuitive Pipeline Pilot® inter... -
BioSolveITTutorials uploaded a video 2 years ago
webinar recording: from drug target to lead molecules: comp. methods in fragment-based design - Duration: 45 minutes.
Computational tools are invaluable in the process of identifying fragment hits. In this one hour BioSolveIT webinar you will initially learn how to fast-track your fragment hit discovery, and by th... -
BioSolveITTutorials uploaded a video 2 years ago
webinar recording: streamline your drug discovery process - Duration: 1 hour.
Drug discovery is like fighting the Hydra: One challenge mastered means 9 more to come. No one software can handle them all. However, workflow systems like KNIME® offer you a single interface to a ... -
BioSolveITTutorials uploaded a video 2 years ago
webinar recording: from drug target to lead molecules: comp. solutions in translational research - Duration: 59 minutes.
Turning early stage discoveries in cell and molecular biology into small molecule tool compounds and drug-like leads is a significant challenge, especially when resources are limited. We will show ... -
BioSolveITTutorials uploaded a video 2 years ago
webinar recording: addressing the productivity problem in pharma - Duration: 1 hour, 2 minutes.
In this one hour webinar, discover how you can enhance productivity in hit-2-lead/LO by leveraging MedChem know-how early on in the CADD phase and thus reduce cycle times and costs. We showcase Lea... -
BioSolveITTutorials uploaded a video 2 years ago
webinar recording: a sequel for beginners, part 2: ligand-based drug design — the basics - Duration: 53 minutes.
"But we don't have a protein structure!" – it's a common complaint in drug hunting. In fact, you don't have your back to the wall if you need to spot active compounds in this situation! In this Bio... -
BioSolveITTutorials uploaded a video 2 years ago
webinar recording: a sequel for beginners, part 1: docking — the basics - Duration: 1 hour.
"Getting the ligand in" is a ubiquitous task in early drug hunting. However, with the right tools it is not that hard. We will show you how, help you avoid the common pitfalls, and demonstrate how ... -
BioSolveITTutorials uploaded a video 2 years ago
Use SeeSAR to optimize your compound - Duration: 47 seconds.
47 seconds introducing you into basic L.O. with SeeSAR.
See how quickly you can exchange an "unhappy" oxygen atom versus a sulfur - eventually gaining affinity.
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