Topic: medicinal-chemistry Goto Github
Some thing interesting about medicinal-chemistry
Some thing interesting about medicinal-chemistry
medicinal-chemistry,Cheminformatic analysis of 8-AQ fluorescent probes
User: amcqueen1980
medicinal-chemistry,Theorical yield calculator to acethysalici acid's synthesis
User: carolchemie
medicinal-chemistry,The goal of this project is to generate a linear regression model that accepts ChEMBL inhibitor data for a target of interest as input and produces inhibitor bioactivity predictions with respect to the specified target as output.
User: cmk323
medicinal-chemistry,Track hit to lead campaigns of all approved drugs
User: danielsoler93
medicinal-chemistry,Molecular Processing Made Easy.
Organization: datamol-io
Home Page: https://docs.datamol.io
medicinal-chemistry,Implements the blood brain barrier score described in: J. Med. Chem. 2019, 62, 21, 9824-9836 (https://doi.org/10.1021/acs.jmedchem.9b01220)
User: frequencykg
Home Page: https://frequencykg.github.io/BBB_calculator/
medicinal-chemistry,This repository forms the electronic laboratory notebook (ELN)for Klementine Burrell-Sander's PhD's
User: klementinejbs
medicinal-chemistry,Short information about this GitHub profile
User: linasdata
medicinal-chemistry,The introduction and molecules with ORCA software.
User: linjing-lab
medicinal-chemistry,Nanome Lib - Python API for Nanome Plugins
Organization: nanome-ai
Home Page: https://nanome.ai/
medicinal-chemistry,Open Source, Automated free binding free energy calculation between protein and small molecule. An all-in-one workflow, free energy pertubation with OpenMM.
User: quantaosun
medicinal-chemistry, Open-sourced, this workflow stands out as one of the premier methods for generating protein-ligand interaction images. With direct accessibility through your browser, it prioritizes enhanced user-friendliness and accessibility.
User: quantaosun
medicinal-chemistry,An Open Chemistry Network dedicated to finding hits vs CHIKV based on a hit containing an naphthoquinone.
Organization: structuralgenomicsconsortium
medicinal-chemistry,An SGC Chemical Networks Project devoted to the DENV Rdrp, focusing specifically on exploring the LifeChemicals library. Use the link below to learn about our other READDI-AViDD projects.
Organization: structuralgenomicsconsortium
Home Page: https://tinyurl.com/READDIAC
medicinal-chemistry,An SGC Chemical Networks Project devoted to the DENV Rdrp, focusing specifically on exploring the Enamine covalent library. Use the link below to learn about other READDI-AViDD projects.
Organization: structuralgenomicsconsortium
Home Page: https://tinyurl.com/READDIAC
medicinal-chemistry,An SGC Chemical Networks Project devoted to the DENV Rdrp, focusing specifically on the results from a virtual screening campaign of the Enamine REAL space to identify hits. Use the link below to learn about other READDI-AViDD projects.
Organization: structuralgenomicsconsortium
Home Page: https://tinyurl.com/READDIAC
medicinal-chemistry,An SGC Open Chemistry Networks Project (number 19) dedicated to finding hits vs CHIKV nsp2 helicase based on a HTS of a Enamine Covalent library.
Organization: structuralgenomicsconsortium
medicinal-chemistry,An SGC Open Chemistry Networks Project (number 20) dedicated to finding hits vs CHIKV nsp2 helicase based on a Virtual Screen of Enamine REAL compounds.
Organization: structuralgenomicsconsortium
medicinal-chemistry,An SGC Open Chemistry Networks Project (number 21) dedicated to finding hits vs CHIKV nsp2 helicase based on a HTS of a Asinex library.
Organization: structuralgenomicsconsortium
medicinal-chemistry,This project aims to develop a chemical probe of CHIKV-nsP3-macrodomain starting from a fragment screen
Organization: structuralgenomicsconsortium
medicinal-chemistry,An SGC Chemical Networks Project devoted to the DENV Rdrp, focusing specifically on identifying a DENV reference compound. If you would like to learn about other repositories in the READDI-AViDD pipeline, please use the link below.
Organization: structuralgenomicsconsortium
Home Page: https://tinyurl.com/READDIAC
medicinal-chemistry,This project aims to develop a chemical probe of SARS-CoV2-NSP14 starting from a fragment screen
Organization: structuralgenomicsconsortium
medicinal-chemistry,An SGC Chemical Networks Project devoted to the DENV Rdrp, focusing specifically on exploring the ChEMBL database. Please use the link below to view all projects in the READDI-AViDD pipeline.
Organization: structuralgenomicsconsortium
Home Page: https://tinyurl.com/READDIAC
medicinal-chemistry,Virtual laboratory for rational drug design and discovery at the blood-brain barrier supervised by Prof. Dr. Sergey Shityakov from Wuerzburg University, Germany
User: virtualscreenlab
Home Page: https://www.researchgate.net/profile/Sergey-Shityakov
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