ChemRxiv COVID-19

From: “ChemRxiv”
Date: 20 март 2020 21:51:39
Subject: Discover COVID-19 Research on ChemRxiv

In light of the current outbreak of a novel coronavirus (2019–nCoV), ChemRxiv would like to share this collection of preprints* on COVID-19. Chemistry has a key role to play in understanding everything from viral structure to pathogenesis, isolation of vaccines and therapies, as well as in the development of materials and techniques used by basic researchers, virologists, and clinicians.

ChemRxiv is openly accessible, with no subscription fees for readers and no submission charges for authors. We encourage you to read and share this collection with colleagues and also invite you to share your research with a global community of scientists by posting your COVID-19 research on ChemRxiv.

Read a Selection of COVID-19 Research:

A Single and Two-Stage, Closed-Tube, Molecular Test for the 2019 Novel Coronavirus (COVID-19) at Home, Clinic, and Points of Entry

Mohamed El-Tholoth, Haim H. Bau, and Jinzhao Song

Repurposing Therapeutics for COVID-19: Supercomputer-Based Docking to the SARS-CoV-2 Viral Spike Protein and Viral Spike Protein-Human ACE2 Interface

Micholas Smith and Jeremy C. Smith

Homology Models of the Papain-Like Protease PLpro from Coronavirus 2019-nCoV

Martin Stoermer

COVID-19 Disease: ORF8 and Surface Glycoprotein Inhibit Heme Metabolism by Binding to Porphyrin
Wenzhong Liu and Hualan Li

Computational Prediction of Mutational Effects on the SARS-CoV-2 Binding by Relative Free Energy Calculations
Junjie Zou, Jian Yin, Lei Fang, Mingjun Yang, Tianyuan Wang, Weikun Wu, Peiyu Zhang

Virtual Screening of an FDA Approved Drugs Database on Two COVID-19 Coronavirus Proteins

Alessandro Contini

Fast Identification of Possible Drug Treatment of Coronavirus Disease -19 (COVID-19) Through Computational Drug Repurposing Study
Junmei Wang

Prediction of the SARS-CoV-2 (2019-nCoV) 3C-like Protease (3CLpro) Structure: Virtual Screening Reveals Velpatasvir, Ledipasvir, and Other Drug Repurposing Candidates
Yu Wai Chen, Chin-Pang Yiu, and Kwok-Yin Wong

Homology Models of Coronavirus 2019-nCoV 3CLpro Protease
Martin Stoermer

Molecular Docking Study of Novel COVID-19 Protease with Low Risk Terpenoides Compounds of Plants

Neda Shaghaghi

*Please note that ChemRxiv preprints have not been peer-reviewed and as such should be read with additional scrutiny. In the event that these preprints have subsequently appeared in a peer-reviewed journal, a link denoting this will appear on the page.

EuroHPC Summit Week 2020

Ivo Iliev, a member of the HPC Lab team will attend this year’s instalment of The EuroHPC Summit Week (EHPCSW) 2020.

The conference will gather the main European HPC stakeholders from technology suppliers and HPC infrastructures to scientific and industrial HPC users in Europe. As in previous years, PRACE, the Partnership for Advanced Computing in Europe, organises the seventh edition of its Scientific and Industrial Conference (PRACEdays20) within the EHPCSW 2020. PRACEdays20 will bring together experts from academia and industry who will present their advancements in HPC-supported science and engineering.

HPC-Lab school visit

For English, see below:

На 10.03 група от ученици от Софийска гимназия по строителство, архитектура и геодезия “Христо Ботев” ще посети Лаборатория по високопроизводителни изчисления. Проф. Пройкова ще изнесе доклад за използването на паралелни клъстери за практически цели.

On 10.03, a group of students from the SGCAG “Hristo Botev” will make a visit to the HPC laboratory. Prof. Proykova will give a lecture about practical applications of parallel clusters.

More Events in November & December

26.11.2019 9:00 am Place: Faculty of Physics, building A, room 25a
Master course Modeling of physical processes second intensive day (6 lecturing hours + 3 exercises – parallel computations) begins

28.11.2019 14:00 Place: Albert Borschette Conference Centre, Brussels, Belgium
Talk Artificial Intelligence – a new approach in Nanotechnologies, Advanced Materials and Biotechnology
Speaker: Prof. Ana Proykova at the 30th NMBP PC meeting on Nanotechnologies, Advanced Materials, Biotechnology, Advanced Manufacturing and Processing

10 and 11 December 2019, Hall 6, National Palace of Culture Sofia, Bulgaria
Research Infrastructures of the Future – synergies, sustainability, smart specialization and social impact

The registration is open until 2.12.2019

Дигитални иновации в помощ на e-Образованието

Дигиталните иновации в помощ на е-Образованието” (24 октомври 2019 г., гр. София).

Традиционно изданията на конференцията са провеждани със съдействието на Парламентарна комисия по образованието и науката, Министерство на образованието и науката, Съвета на ректорите в Република България и Представителството на Европейската комисия в България.

Upcoming Events

25 September 2019, 14:00
Кръгла маса:
Перспективи пред развитието на иновациите в Лабораторния комплекс на София Тех Парк“
Програма на събитието
Лабораторията по високопроизводителни изчисления ще бъде представена от Иво Илиев, докторант, с презентация на тема:
„Лаборатория НРС предлага възможности и за индустрията в България“

27 September, 2019 18:00 Researchers NIGHT
Sofia Technology Park
Научи как със суперкомпютър да извличаш интелигентно златото от данните
•Лаборатория Високопроизводителни изчисления, проф. дфзн Ана Пройкова, ръководител на лабораторията

22 November, 2019 21st conference on Nanoscience and Nanotechnology

The team of HPC lab will demonstrate the capability of computers predictions at the nanoscale

Power outage

Yesterday, 15.08.2019, at around 13:40 UTC an unexpected power outage has occurred at the laboratory complex at Sofia Tech Park, which hosts Nestum. Some of the compute nodes have been restarted and some job progress might have been lost. We have sent private e-mails to users whose jobs might have been affected and we apologise for the inconvenience.

HPC Team