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110 117 (0,173s) •

Result

5th Advanced in silico Drug Design workshop/challenge 2020

5ADD workshop/challenge (3.2.-7.2.2020) is focused on the use of in silico drug design tools and approaches in the drug design. We will cover both structure-based drug design (molecular docking, molecular dynamics,...

Biology (theoretical, mathematical, thermal, cryobiology, biological rhythm), Evolutionary biology

  • 2020
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Result

6th Advanced in silico Drug Design workshop/challenge 2023

6ADD workshop/challenge (30.1.-3.2.2023) is focused on using in silico tools and approaches in drug design. We cover both structure-based drug design (molecular docking, molecular dynamics, structural bioinformatics tools) ...

Physical chemistry

  • 2023
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Result

7th Advanced in silico Drug Design workshop 2024

7ADD workshop (29.1.2024 – 1.2.2024) is focused on using in silico tools and approaches in drug design. We cover both structure-based drug design (molecular docking, molecular dynamics, structural bioinformatics tools) and ...

Physical chemistry

  • 2024
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Result

2rd Advanced in silico Drug Design workshop 2017

2ADD workshop is focused on the use of in silico drug design tools and approaches. We will cover both structure-based drug design (molecular docking, structural bioinformatics tools) and ligand-based drug desig...

Physical chemistry

  • 2017
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Result

4th Advanced in silico Drug Design workshop/hackathon 2019

4ADD workshop/hackathon (21.1.-25.1.2019) is focused on the use of in silico drug design tools and approaches in the drug design and optimimization. We will cover both structure-based drug design (molecular docking...

Biology (theoretical, mathematical, thermal, cryobiology, biological rhythm), Evolutionary biology

  • 2019
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Result

3rd Advanced in silico Drug Design workshop/hackathon 2018

3ADD workshop/hackathon (23.1.-26.1.2018) is focused on the use of in silico drug design tools and approaches. We will cover both structure-based drug design (molecular docking, structural bioinformatics tools) and liga...

Biology (theoretical, mathematical, thermal, cryobiology, biological rhythm), Evolutionary biology

  • 2018
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Result

Rational design of novel TLR4 ligands by in silico screening and their functional and structural characterization in vitro

protein 2 (hTLR4/MD2). Following current rational drug design principles, we firstly performed a ligand and structure based virtual screening of more than 130 000 compounds type of immunologic adjuvants. The core of the in sili...

Medicinal chemistry

  • 2017
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  • Jimp
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Result

In silico studies of semi-synthetic benzo[a]phenazines as inhibitors of dihydrofolate reductase from Plasmodium falciparum

An in silico study including molecular docking, molecular dynamics simulations-TS). The results showed that all ligands were able to form stable complexes, and DHFR inhibitor, BT1. It was also shown that these ligands can b...

Physical chemistry

  • 2021
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  • Jimp
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Result

Rational design of novel TLR4 ligands by in silico screening and their functional and structural characterization in vitro

protein 2 (hTLR4/MD2). Following current rational drug design principles, we firstly performed a ligand and structure based virtual screening of more than 130 000 compounds type of immunologic adjuvants. The core of the in sili...

Medicinal chemistry

  • 2018
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  • Jimp
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  • Link
Result

Outcome of the First wwPDB/CCDC/D3R Ligand Validation Workshop

, the suitability of ligand models for in silico drug discovery and design, and the goodness Crystallographic Data Center/Drug Design Data Resource (wwPDB/CCDC/D3R) Ligand ValidationCrystallographic studie...

CE - Biochemie

  • 2016
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