Artificial intelligence to deep learning: machine intelligence approach for drug discovery
Drug designing and development is an important area of research for pharmaceutical
companies and chemical scientists. However, low efficacy, off-target delivery, time …
companies and chemical scientists. However, low efficacy, off-target delivery, time …
An updated review of computer‐aided drug design and its application to COVID‐19
The recent outbreak of the deadly coronavirus disease 19 (COVID‐19) pandemic poses
serious health concerns around the world. The lack of approved drugs or vaccines continues …
serious health concerns around the world. The lack of approved drugs or vaccines continues …
[HTML][HTML] Molecular dynamics simulation approach for discovering potential inhibitors against SARS-CoV-2: A structural review
S Ghahremanian, MM Rashidi, K Raeisi… - Journal of molecular …, 2022 - Elsevier
Since the commencement of the novel Coronavirus, the disease has quickly turned into a
worldwide crisis so that there has been growing attention in discovering possible hit …
worldwide crisis so that there has been growing attention in discovering possible hit …
Structural and non-structural proteins in SARS-CoV-2: potential aspects to COVID-19 treatment or prevention of progression of related diseases
S Kakavandi, I Zare, M VaezJalali, M Dadashi… - Cell Communication and …, 2023 - Springer
Abstract Coronavirus disease 2019 (COVID-19) is caused by a new member of the
Coronaviridae family known as severe acute respiratory syndrome coronavirus 2 (SARS …
Coronaviridae family known as severe acute respiratory syndrome coronavirus 2 (SARS …
Modelling conformational state dynamics and its role on infection for SARS-CoV-2 Spike protein variants
The SARS-CoV-2 Spike protein needs to be in an open-state conformation to interact with
ACE2 to initiate viral entry. We utilise coarse-grained normal mode analysis to model the …
ACE2 to initiate viral entry. We utilise coarse-grained normal mode analysis to model the …
In silico evaluation of Iranian medicinal plant phytoconstituents as inhibitors against main protease and the receptor-binding domain of SARS-CoV-2
The novel coronavirus disease 2019 (COVID-19) is caused by the severe acute respiratory
syndrome coronavirus 2 (SARS-CoV-2), which initially appeared in Wuhan, China, in …
syndrome coronavirus 2 (SARS-CoV-2), which initially appeared in Wuhan, China, in …
Methodology-centered review of molecular modeling, simulation, and prediction of SARS-CoV-2
Despite tremendous efforts in the past two years, our understanding of severe acute
respiratory syndrome coronavirus 2 (SARS-CoV-2), virus–host interactions, immune …
respiratory syndrome coronavirus 2 (SARS-CoV-2), virus–host interactions, immune …
[HTML][HTML] Immune evasion of SARS-CoV-2 from interferon antiviral system
YQ Min, M Huang, X Sun, F Deng, H Wang… - Computational and …, 2021 - Elsevier
The on-going pandemic of coronavirus disease 2019 (COVID-19) caused by severe acute
respiratory syndrome coronavirus 2 (SARS-CoV-2) has led to unprecedented medical and …
respiratory syndrome coronavirus 2 (SARS-CoV-2) has led to unprecedented medical and …
[HTML][HTML] Molecular dynamics simulation and docking analysis of NF-κB protein binding with sulindac acid
It is of interest to document the Molecular Dynamics Simulation and docking analysis of NF-
κB target with sulindac sodium in combating COVID-19 for further consideration. Sulindac is …
κB target with sulindac sodium in combating COVID-19 for further consideration. Sulindac is …
Microsecond MD simulation and multiple-conformation virtual screening to identify potential anti-COVID-19 inhibitors against SARS-CoV-2 main protease
The recent pandemic outbreak of COVID-19, caused by severe acute respiratory syndrome
coronavirus 2 (SARS-CoV-2), raised global health and economic concerns …
coronavirus 2 (SARS-CoV-2), raised global health and economic concerns …