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[HTML][HTML] A guide to in silico drug design
Y Chang, BA Hawkins, JJ Du, PW Groundwater… - Pharmaceutics, 2023 - mdpi.com
The drug discovery process is a rocky path that is full of challenges, with the result that very
few candidates progress from hit compound to a commercially available product, often due …
few candidates progress from hit compound to a commercially available product, often due …
Perspective on the current state-of-the-art of quantum computing for drug discovery applications
Computational chemistry is an essential tool in the pharmaceutical industry. Quantum
computing is a fast evolving technology that promises to completely shift the computational …
computing is a fast evolving technology that promises to completely shift the computational …
Identification of 5-HT2A receptor signaling pathways associated with psychedelic potential
Serotonergic psychedelics possess considerable therapeutic potential. Although 5-HT2A
receptor activation mediates psychedelic effects, prototypical psychedelics activate both 5 …
receptor activation mediates psychedelic effects, prototypical psychedelics activate both 5 …
Mutations on RBD of SARS-CoV-2 Omicron variant result in stronger binding to human ACE2 receptor
The COVID-19 pandemic caused by the SARS-CoV-2 virus has led to more than 270 million
infections and 5.3 million of deaths worldwide. Several major variants of SARS-CoV-2 have …
infections and 5.3 million of deaths worldwide. Several major variants of SARS-CoV-2 have …
[HTML][HTML] Remdesivir is a direct-acting antiviral that inhibits RNA-dependent RNA polymerase from severe acute respiratory syndrome coronavirus 2 with high potency
CJ Gordon, EP Tchesnokov, E Woolner… - Journal of Biological …, 2020 - Elsevier
Effective treatments for coronavirus disease 2019 (COVID-19) are urgently needed to control
this current pandemic, caused by severe acute respiratory syndrome coronavirus 2 (SARS …
this current pandemic, caused by severe acute respiratory syndrome coronavirus 2 (SARS …
ProMod3—A versatile homology modelling toolbox
G Studer, G Tauriello, S Bienert, M Biasini… - PLoS computational …, 2021 - journals.plos.org
Computational methods for protein structure modelling are routinely used to complement
experimental structure determination, thus they help to address a broad spectrum of …
experimental structure determination, thus they help to address a broad spectrum of …
Cardiac late sodium channel current is a molecular target for the sodium/glucose cotransporter 2 inhibitor empagliflozin
K Philippaert, S Kalyaanamoorthy, M Fatehi, W Long… - Circulation, 2021 - ahajournals.org
Background: SGLT2 (sodium/glucose cotransporter 2) inhibitors exert robust
cardioprotective effects against heart failure in patients with diabetes, and there is intense …
cardioprotective effects against heart failure in patients with diabetes, and there is intense …
Inhibition of SARS-CoV 3CL protease by flavonoids
S Jo, S Kim, DH Shin, MS Kim - Journal of enzyme inhibition and …, 2020 - Taylor & Francis
There were severe panics caused by Severe Acute Respiratory Syndrome (SARS) and
Middle-East Respiratory Syndrome-Coronavirus. Therefore, researches targeting these …
Middle-East Respiratory Syndrome-Coronavirus. Therefore, researches targeting these …
Dynamics of the ACE2–SARS-CoV-2/SARS-CoV spike protein interface reveal unique mechanisms
Abstract The coronavirus disease 2019 (COVID-19) pandemic, caused by the severe acute
respiratory syndrome coronavirus 2 (SARS-CoV-2), is a major public health concern. A …
respiratory syndrome coronavirus 2 (SARS-CoV-2), is a major public health concern. A …
Widespread exposure to SARS-CoV-2 in wildlife communities
Pervasive SARS-CoV-2 infections in humans have led to multiple transmission events to
animals. While SARS-CoV-2 has a potential broad wildlife host range, most documented …
animals. While SARS-CoV-2 has a potential broad wildlife host range, most documented …