Computational and Quantum Chemistry – Telegram
Computational and Quantum Chemistry
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A group dedicated to everything about theoretical and computational/quantum chemistry.
Please, write in English only. Keep on-topic. Be respectful always.
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0601 - Solvation Models Chemical Phenomena
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0603 - Solvation Models Free Energy Perturbation
Free webinar from the American Chemical Society
Bioconjugation in Polymer Chemistry
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Biomacromolecules, including proteins, enzymes, and antibodies, are the workhorses of living systems and the foundation of breakthrough technologies in medicine, energy, sustainability, and food processing. Currently, what is our ability to rationally design “Molecular Chimeras” to bring together proteins and synthetic polymers?

https://www.acs.org/content/acs/en/acs-webinars.html?sc=200806_comm_webinar_techinn_em
Live Webinar: Machine Learning in Drug Discovery
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You are invited to an upcoming webinar hosted by Collaborative Drug
Discovery:

Demystifying Machine Learning (AI) in Drug Discovery

Thursday, September 10th at 9:00 am PDT, 12:00 pm EDT and 16:00 GMT

Free registration: https://info.collaborativedrug.com/2020-q3-scientific-webinar?utm_campaign=2020%20Q3%20Scientific%20Webinar&utm_source=ccl
Join panelists Dr. John Overington (Medicines Discovery Catapult), Dr. John Griffin (Integral Health), Dr. Jeff Warrington (Atomwise) for a cutting-edge discussion on modern machine learning (AI) methods applied to drug discovery data. Learn how various methodologies are being applied in real organizations. We hope to you see you there!
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0604 - Solvation Models Continuum (Implicit) Solvent
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0605 - Solvation Models Continuum (Implicit) Solvent
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0606 - Solvation Models Phase-Phase Partitioning
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0607 - Solvation Models Hybrid Explicit/Implicit Solvent
Free Webinar - MolScreen ADME Prediction Panels
MolScreen - Combining Deep Learning with Docking. Thousands of preclinical activity assays for drug candidates in silico.

https://register.gotowebinar.com/register/2829076811429870606
GCC 2020 (November 2-3) and the SAMPL Workshop (November 4) will now take
place virtually.


https://veranstaltungen.gdch.de/tms/frontend/index.cfm?l=10731&sp_id=2

The language for the meeting is English.

As announced earlier, the current situation forced us to resort to a purely virtual format for both GCC and the SAMPL workshop (originally termed "EuroSAMPL" as it was planned to be hosted as in-person meeting in Germany), which nevertheless provides an attractive platform for presenting and discussing exciting new research.

The GCC reflects and highlights the important role of cheminformatics, which connects the modern information and data-driven world with computational modelling of molecular systems. It spans a wide range of subjects related to the use of computers in chemistry, pharmacy, materials science and biology; from informatics and data science to atomistic modelling, and from fundamental academic research to industrial applications.

The scientific programme will include software workshops, contributed lectures (25+5 min), research telegrams (12+3 min), and - in parallel sessions - very brief "flash talks" (3+2 min to be held twice, open to everyone) instead of a poster session. Young academics (Ph.D. students only) are encouraged to select the format of research telegrams as an opportunity to present the highlights of their research to a wider audience. Ph.D. student submissions as full talks will compete against all contributions in this category and cannot be changed to the research telegram format if declined.

The conference contains slots for software workshops. Our sponsors will introduce the latest software developments to the participants. If you are interested in providing workshops or sponsoring please contact Dr. Stefan Güssregen at gcc-exhibition@chemoinformatics.info.

The SAMPL satellite workshop will encompass invited lectures and contributions from participants during the recent SAMPL blinded challenge on predicting protein-ligand and guest-host features as well as, depending on upcoming challenge deadlines, small molecule properties. This will give participants the opportunity to present and learn about state-of-the-art computational methodology benchmarked against high-quality experimental data. SAMPL lectures will take place from 1 p.m. to 9 p.m. (CET) to ease participation of North and South American residents.