Themed collection Coronavirus articles - free to access collection

259 items - Showing page 1 of 4
Editorial

Editorial Perspectives: will SARS-CoV-2 reset public health requirements in the water industry? Integrating lessons of the past and emerging research

Brian Pecson and Daniel Gerrity present an Editorial Perspective which focuses on the impact of SARS-CoV-2 on the water industry.

Graphical abstract: Editorial Perspectives: will SARS-CoV-2 reset public health requirements in the water industry? Integrating lessons of the past and emerging research
Editorial

Editorial Perspectives: 2019 novel coronavirus (SARS-CoV-2): what is its fate in urban water cycle and how can the water research community respond?

Vincenzo Naddeo and Haizhou Liu present an ‘Editorial Perspective’ on coronavirus in wastewater and discuss the water research needs to combat viral outbreaks.

Graphical abstract: Editorial Perspectives: 2019 novel coronavirus (SARS-CoV-2): what is its fate in urban water cycle and how can the water research community respond?
Highlight

Rocaglamide and silvestrol: a long story from anti-tumor to anti-coronavirus compounds

The flavagline silvestrol is a potential candidate against viral infections including COVID-19.

Graphical abstract: Rocaglamide and silvestrol: a long story from anti-tumor to anti-coronavirus compounds
Open Access Highlight

Nano- and biosensors for the detection of SARS-CoV-2: challenges and opportunities

Recent advances in the design of nano- and biosensors, as well as important challenges and opportunities related to the detection of SARS-CoV-2 and COVID-19 diagnosis, are discussed.

Graphical abstract: Nano- and biosensors for the detection of SARS-CoV-2: challenges and opportunities
Perspective

The latest strategies in the fight against the COVID-19 pandemic: the role of metal and metal oxide nanoparticles

In this review, we summarize and highlight the latest achievements based on nanoparticles in the fight against COVID-19.

Graphical abstract: The latest strategies in the fight against the COVID-19 pandemic: the role of metal and metal oxide nanoparticles
Perspective

Envisioned strategy for an early intervention in virus-suspected patients through non-invasive piezo- and pyro-electric-based wearable sensors

This perspective explores the scope of piezo- and pyro-electric wearable sensors towards the early intervention of virus-affected patients, particularly in the context of the ongoing COVID-19 pandemic.

Graphical abstract: Envisioned strategy for an early intervention in virus-suspected patients through non-invasive piezo- and pyro-electric-based wearable sensors
Open Access Perspective

Soft matter science and the COVID-19 pandemic

Much of the science underpinning the global response to the COVID-19 pandemic lies in the soft matter domain.

Graphical abstract: Soft matter science and the COVID-19 pandemic
Open Access Perspective

Carbon-based antiviral nanomaterials: graphene, C-dots, and fullerenes. A perspective

The appearance of new and lethal viruses and their potential threat urgently requires innovative antiviral systems.

Graphical abstract: Carbon-based antiviral nanomaterials: graphene, C-dots, and fullerenes. A perspective
Perspective

Ultraviolet-C and other methods of decontamination of filtering facepiece N-95 respirators during the COVID-19 pandemic

Ultraviolet germicidal irradiation is one method for decontamination of N-95 filtering facepiece respirators to facilitate reuse during the COVID-19 pandemic. Other techniques include hydrogen peroxide vaporization, microwave-generated steaming, and dry heating.

Graphical abstract: Ultraviolet-C and other methods of decontamination of filtering facepiece N-95 respirators during the COVID-19 pandemic
Perspective

Trends and targets in antiviral phototherapy

With its principles discovered more than a hundred years ago the photodynamic inactivation of viruses is now routinely employed in the decontamination of blood products but also investigated for HPV treatment and water disinfection and food safety.

Graphical abstract: Trends and targets in antiviral phototherapy
Open Access Frontier

Growth of Legionella during COVID-19 lockdown stagnation

While “avoiding stagnation” has been the mantra of building water experts, support for how this terminology is used is not overly convincing. Carefully nuanced COVID stagnation studies can improve water quality research and communication strategies.

Graphical abstract: Growth of Legionella during COVID-19 lockdown stagnation
Minireview

Aptamer-based biosensors and their implications in COVID-19 diagnosis

This minireview focusses on the comprehensive study of SARS-CoV-2 specific aptamers and aptamer-based biosensors (optical and electrochemical), and their role and future perspectives in COVID-19 diagnosis.

Graphical abstract: Aptamer-based biosensors and their implications in COVID-19 diagnosis
Minireview

Rapid antibody diagnostics for SARS-CoV-2 adaptive immune response

The emergence of a pandemic scale respiratory illness (COVID-19) and the lack of the world's readiness to prevent its spread resulted in an unprecedented rise of biomedical diagnostic industries, as they took lead to provide efficient diagnostic solutions for COVID-19.

Graphical abstract: Rapid antibody diagnostics for SARS-CoV-2 adaptive immune response
Minireview

An overview of molecular biology and nanotechnology based analytical methods for the detection of SARS-CoV-2: promising biotools for the rapid diagnosis of COVID-19

Molecular biology and nanotechnology based analytical methods have proven to be promising diagnostic tools for the rapid diagnosis of COVID-19.

Graphical abstract: An overview of molecular biology and nanotechnology based analytical methods for the detection of SARS-CoV-2: promising biotools for the rapid diagnosis of COVID-19
Minireview

The role of biomaterials and three dimensional (3D) in vitro tissue models in fighting against COVID-19

Biomaterials in company with bioengineered tissue models enables scientists to develop the more precise disease models and find better solutions in infectious respiratory disease treatment.

Graphical abstract: The role of biomaterials and three dimensional (3D) in vitro tissue models in fighting against COVID-19
Minireview

A new point-of-care test for the diagnosis of infectious diseases based on multiplex lateral flow immunoassays

Multiplex lateral flow immunoassays for outstanding POCT of infectious diseases.

Graphical abstract: A new point-of-care test for the diagnosis of infectious diseases based on multiplex lateral flow immunoassays
Minireview

Novel biosensing methodologies for ultrasensitive detection of viruses

Biosensors function as rapid, sensitive and specific diagnostic tools for various viral infectious diseases.

Graphical abstract: Novel biosensing methodologies for ultrasensitive detection of viruses
Application

Anti-tumor, -viral, and -bacterial activities of polyoxometalates for realizing an inorganic drug

Recent developments in the biological activities of polyoxometalates (metal-oxide cluster anions) are discussed from the chemotherapeutic point of view for a novel inorganic drug.

Graphical abstract: Anti-tumor, -viral, and -bacterial activities of polyoxometalates for realizing an inorganic drug
Review Article

Development of nanozymes for promising alleviation of COVID-19-associated arthritis

Nanozymes, with functions such as virus disinfection, oxidative stress reduction, cytokine production regulation, and inflammation reduction, may be a promising treatment for COVID-19-related arthritis linked to shared factors.

Graphical abstract: Development of nanozymes for promising alleviation of COVID-19-associated arthritis
Open Access Review Article

Computational methods directed towards drug repurposing for COVID-19: advantages and limitations

Different kind of methods utilized in expediting drug repurposing.

Graphical abstract: Computational methods directed towards drug repurposing for COVID-19: advantages and limitations
Review Article

A nano perspective behind the COVID-19 pandemic

Nano-scale interactions are key to understand the SARS-CoV-2 infectious potential and bio–nano sciences can provide hints on viral particles behaviour.

Graphical abstract: A nano perspective behind the COVID-19 pandemic
Open Access Review Article

A critical overview of computational approaches employed for COVID-19 drug discovery

We cover diverse methodologies, computational approaches, and case studies illustrating the ongoing efforts to develop viable drug candidates for treatment of COVID-19.

Graphical abstract: A critical overview of computational approaches employed for COVID-19 drug discovery
Open Access Review Article

Nanomaterial-based drug delivery systems as promising carriers for patients with COVID-19

We propose a consideration of Avigan-loaded nano-emulsions as a promising nano-based delivery system for the treatment of COVID-19.

Graphical abstract: Nanomaterial-based drug delivery systems as promising carriers for patients with COVID-19
Review Article

A review of the latest research on Mpro targeting SARS-COV inhibitors

Since the outbreak of COVID-19, the pandemic caused by SARS-CoV-2 infection is still spreading at an alarming rate and has caused huge loss of life and economic damage worldwide.

Graphical abstract: A review of the latest research on Mpro targeting SARS-COV inhibitors
Open Access Review Article

A comprehensive overview of vaccines developed for pandemic viral pathogens over the past two decades including those in clinical trials for the current novel SARS-CoV-2

We describe updated information on the various vaccines available over the last two decades, along with recent progress in developing 63 diverse vaccines against SARS-CoV-2.

Graphical abstract: A comprehensive overview of vaccines developed for pandemic viral pathogens over the past two decades including those in clinical trials for the current novel SARS-CoV-2
Open Access Review Article

A review on potential of natural products in the management of COVID-19

In this review promising targets for drug development against SARS-CoV-2 and anti-viral activities of some of the known natural products (including plant secondary metabolites) are discussed.

Graphical abstract: A review on potential of natural products in the management of COVID-19
Review Article

SARS-CoV-2 and tissue damage: current insights and biomaterial-based therapeutic strategies

Schematic representation of use of biomaterials in tissue regeneration for SARS-CoV-2-affected organs.

Graphical abstract: SARS-CoV-2 and tissue damage: current insights and biomaterial-based therapeutic strategies
Open Access Review Article

Targeting the SARS-CoV-2-spike protein: from antibodies to miniproteins and peptides

Fighting COVID-19 with high affinity reagents: this review article summarizes the discovery of several classes of (bio) molecules targeting the SARS-CoV-2 spike protein.

Graphical abstract: Targeting the SARS-CoV-2-spike protein: from antibodies to miniproteins and peptides
Open Access Review Article

The chemical biology of coronavirus host–cell interactions

Chemical biology strategies can play important roles in studying the complexity of SARS-CoV-2–host interactions at molecular level detail.

Graphical abstract: The chemical biology of coronavirus host–cell interactions
Open Access Review Article

ACE2 as a potential therapeutic target for pandemic COVID-19

SARS-CoV-2 virus invades the host through angiotensin-converting enzyme 2 (ACE2) receptors by decreasing the ACE2 expression of the host.

Graphical abstract: ACE2 as a potential therapeutic target for pandemic COVID-19
Open Access Review Article

Diagnostic technologies for COVID-19: a review

Summary of the latest research progress on detection methods of SARS-CoV-2, providing a reference to develop rapid and accurate diagnostic strategies for COVID-19.

Graphical abstract: Diagnostic technologies for COVID-19: a review
Open Access Review Article

Targeting severe acute respiratory syndrome-coronavirus (SARS-CoV-1) with structurally diverse inhibitors: a comprehensive review

Since the coronaviruses that cause COVID-19 and SARS-CoV-1 share 80% structural similarity, we present a comprehensive review of the diverse molecular inhibitors of SARS-CoV-1. This will help to accelerate drug discovery for deadly coronavirus diseases.

Graphical abstract: Targeting severe acute respiratory syndrome-coronavirus (SARS-CoV-1) with structurally diverse inhibitors: a comprehensive review
Open Access Review Article

An overview of key potential therapeutic strategies for combat in the COVID-19 battle

A schematic representation of different methods to inhibit SARS-CoV-2 infection.

Graphical abstract: An overview of key potential therapeutic strategies for combat in the COVID-19 battle
Open Access Review Article

Potential repurposed SARS-CoV-2 (COVID-19) infection drugs

The global outbreak of COVID-19 viral infection is associated with the absence of specific drug(s) for fighting this viral infection.

Graphical abstract: Potential repurposed SARS-CoV-2 (COVID-19) infection drugs
Open Access Review Article

Nature as a treasure trove of potential anti-SARS-CoV drug leads: a structural/mechanistic rationale

Potential drug candidates derived from natural sources are posed for the development of anti-SARS CoV-2 therapeutics.

Graphical abstract: Nature as a treasure trove of potential anti-SARS-CoV drug leads: a structural/mechanistic rationale
Review Article

In search for effective and definitive treatment of herpes simplex virus type 1 (HSV-1) infections

Herpes Simplex Virus type 1 (HSV-1) is a nuclear replicating enveloped virus.

Graphical abstract: In search for effective and definitive treatment of herpes simplex virus type 1 (HSV-1) infections
Review Article

Antiviral drug discovery: broad-spectrum drugs from nature

Exploiting the power of nature to fight viral infections. This review describes the concept of direct- and host-acting natural products with broad-spectrum antiviral activities and provides promising examples derived from plants, fungi, bacteria and marine organisms.

Graphical abstract: Antiviral drug discovery: broad-spectrum drugs from nature
Review Article

Influenza neuraminidase: A druggable target for natural products

This review covers the increasing research efforts of the past decade, focusing on the structure, function and druggability of influenza NA, and its inhibition by natural products. Latest developments in theoretical and experimental research on NA for lead discovery strategies from nature are presented.

Graphical abstract: Influenza neuraminidase: A druggable target for natural products
Open Access Critical Review

Molecular diagnostics in the era of COVID-19

As the COVID-19 pandemic continues to escalate globally and acquires new mutations, accurate diagnostic technologies continue to play a vital role in controlling and understanding the epidemiology of this disease.

Graphical abstract: Molecular diagnostics in the era of COVID-19
Critical Review

Point-of-care testing detection methods for COVID-19

This paper summarises the latest research advances and commercial products in POCT-based SARS-CoV-2 detection methods.

Graphical abstract: Point-of-care testing detection methods for COVID-19
Critical Review

A review of pharmaceutical occurrence and pathways in the aquatic environment in the context of a changing climate and the COVID-19 pandemic

Active pharmaceutical ingredients (APIs) are increasingly being identified as contaminants of emerging concern (CECs).

Graphical abstract: A review of pharmaceutical occurrence and pathways in the aquatic environment in the context of a changing climate and the COVID-19 pandemic
Open Access Critical Review

Current advances in the detection of COVID-19 and evaluation of the humoral response

SARS-CoV-2 and humoral response determinations to understand and control the spread of COVID-19.

Graphical abstract: Current advances in the detection of COVID-19 and evaluation of the humoral response
Open Access Critical Review

Detection of RNA viruses from influenza and HIV to Ebola and SARS-CoV-2: a review

RNA-based viruses likely make up the highest pandemic threat among all known pathogens in about the last 100 years, since the Spanish Flu of 1918 with 50 M deaths up to COVID-19.

Graphical abstract: Detection of RNA viruses from influenza and HIV to Ebola and SARS-CoV-2: a review
Critical Review

Emerging investigators series: the source and fate of pandemic viruses in the urban water cycle

This review provides a comprehensive look at whether a pandemic enveloped virus would pose challenges for the wastewater and drinking water industries.

Graphical abstract: Emerging investigators series: the source and fate of pandemic viruses in the urban water cycle
Critical Review

The role of biosensors in the detection of emerging infectious diseases

An ideal approach to real-time disease detection and surveillance.

Graphical abstract: The role of biosensors in the detection of emerging infectious diseases
Open Access Communication

Site-specific recognition of SARS-CoV-2 nsp1 protein with a tailored titanium dioxide nanoparticle – elucidation of the complex structure using NMR data and theoretical calculation

Titanium dioxide nanoparticles can be tailored to interact specifically with SARS-CoV-2 nsp1 protein, forming, according to NMR studies, a stable complex, which structure was elucidated based on a molecular modeling approach.

Graphical abstract: Site-specific recognition of SARS-CoV-2 nsp1 protein with a tailored titanium dioxide nanoparticle – elucidation of the complex structure using NMR data and theoretical calculation
Communication

Uncovering mechanisms of RT-LAMP colorimetric SARS-CoV-2 detection to improve assay reliability

In this study, we enhanced the color changes and sensitivity of colorimetric SARS-CoV-2 RT-LAMP assays based on triarylmethane dyes. We determined a mechanism for the color changes and obtained sensitivities of 10 RNA copies per microliter.

Graphical abstract: Uncovering mechanisms of RT-LAMP colorimetric SARS-CoV-2 detection to improve assay reliability
Open Access Communication

An electrochemical SARS-CoV-2 biosensor inspired by glucose test strip manufacturing processes

A rapid, low cost sensor for Covid-19 was developed using a perfluorodecanthiol layer and ACE2.

Graphical abstract: An electrochemical SARS-CoV-2 biosensor inspired by glucose test strip manufacturing processes
Communication

Colorimetric loop-mediated isothermal amplification (LAMP) for cost-effective and quantitative detection of SARS-CoV-2: the change in color in LAMP-based assays quantitatively correlates with viral copy number

Colorimetric LAMP for COVID-19 intensified diagnostics: a simple and quantitative method comparable in diagnostic performance to RT-qPCR.

Graphical abstract: Colorimetric loop-mediated isothermal amplification (LAMP) for cost-effective and quantitative detection of SARS-CoV-2: the change in color in LAMP-based assays quantitatively correlates with viral copy number
Communication

High-throughput wastewater analysis for substance use assessment in central New York during the COVID-19 pandemic

Wastewater analysis provides insights into population lifestyle and health status during the coronavirus pandemic.

Graphical abstract: High-throughput wastewater analysis for substance use assessment in central New York during the COVID-19 pandemic
Communication

Inhibitory activities of marine sulfated polysaccharides against SARS-CoV-2

Sulfated polysaccharide from sea cucumber (SCSP), fucoidan from brown algae, and iota-carrageenan from red algae show inhibitory activities against SARS-CoV-2.

Graphical abstract: Inhibitory activities of marine sulfated polysaccharides against SARS-CoV-2
Communication

Paper spray mass spectrometry utilizing Teslin® substrate for rapid detection of lipid metabolite changes during COVID-19 infection

Development of an identification methodology with PS-MS as a sensitive and rapid technique to obtain vastly different chemical changes in COVID-19 infection.

Graphical abstract: Paper spray mass spectrometry utilizing Teslin® substrate for rapid detection of lipid metabolite changes during COVID-19 infection
Communication

Quantitative determination of mechanical stability in the novel coronavirus spike protein

Unveiling the nanomechanical stability of the novel coronavirus (SARS-CoV-2) spike protein

Graphical abstract: Quantitative determination of mechanical stability in the novel coronavirus spike protein
Communication

Interaction of hydroxychloroquine with SARS-CoV2 functional proteins using all-atoms non-equilibrium alchemical simulations

Using a combination of enhanced sampling molecular dynamics techniques and non-equilibrium alchemical transformations, we have shown that hydroxychloroquine may act as a mild inhibitor of important functional proteins for SARS-CoV2 replication.

Graphical abstract: Interaction of hydroxychloroquine with SARS-CoV2 functional proteins using all-atoms non-equilibrium alchemical simulations
Communication

MPLEx: a method for simultaneous pathogen inactivation and extraction of samples for multi-omics profiling

The continued emergence and spread of infectious agents is of great concern, and systems biology approaches to infectious disease research can advance our understanding of host–pathogen relationships and facilitate the development of new therapies and vaccines.

Graphical abstract: MPLEx: a method for simultaneous pathogen inactivation and extraction of samples for multi-omics profiling
Communication

Multicolored silver nanoparticles for multiplexed disease diagnostics: distinguishing dengue, yellow fever, and Ebola viruses

Multicolor silver nanoparticles enable multiplexed detection of dengue, yellow fever, and Ebola virus proteins in a single lateral flow strip.

Graphical abstract: Multicolored silver nanoparticles for multiplexed disease diagnostics: distinguishing dengue, yellow fever, and Ebola viruses
Communication

Inhibition of SARS coronavirus helicase by bismuth complexes

The SARS-CoV NTPase/helicase being able to unwind both RNA and DNA duplexes, is an attractive target for anti-viral drug design. A series of bismuth complexes were synthesized and characterized, and exhibit the inhibition against the SARS helicase ATPase and duplex-unwinding activities at micromolar concentrations.

Graphical abstract: Inhibition of SARS coronavirus helicase by bismuth complexes
Open Access Edge Article

Determination of intermediate state structures in the opening pathway of SARS-CoV-2 spike using cryo-electron microscopy

A structural ensemble derived from cryo-electron microscopy reveals a cryptic pocket site in intermediate states along the opening pathway of the SARS-CoV-2 spike protein.

Graphical abstract: Determination of intermediate state structures in the opening pathway of SARS-CoV-2 spike using cryo-electron microscopy
Open Access Edge Article

Translating daily COVID-19 screening into a simple glucose test: a proof of concept study

COVID-19 glucose test: translating SARS-CoV-2 detection into a glucose test is achieved by incorporating target-responsive rolling circle amplification and a CRISPR-based collateral cleavage module with a portable glucose meter.

Graphical abstract: Translating daily COVID-19 screening into a simple glucose test: a proof of concept study
Open Access Edge Article

Prediction and mitigation of mutation threats to COVID-19 vaccines and antibody therapies

Antibody therapeutics and vaccines are among our last resort to end the raging COVID-19 pandemic.

Graphical abstract: Prediction and mitigation of mutation threats to COVID-19 vaccines and antibody therapies
Open Access Edge Article

Molecular recognition of SARS-CoV-2 spike glycoprotein: quantum chemical hot spot and epitope analyses

Quantum chemical calculations investigated molecular recognition of SARS-CoV-2 spike glycoproteins including its N501Y variant for ACE2 and antibody. Hot spot and epitope analyses revealed key residues to design drugs and antibodies against COVID-19.

Graphical abstract: Molecular recognition of SARS-CoV-2 spike glycoprotein: quantum chemical hot spot and epitope analyses
Open Access Edge Article

High-resolution mining of the SARS-CoV-2 main protease conformational space: supercomputer-driven unsupervised adaptive sampling

We provide an unsupervised adaptive sampling strategy capable of producing μs-timescale molecular dynamics (MD) simulations of large biosystems using many-body polarizable force fields (PFFs).

Graphical abstract: High-resolution mining of the SARS-CoV-2 main protease conformational space: supercomputer-driven unsupervised adaptive sampling
Open Access Edge Article

A microscopic description of SARS-CoV-2 main protease inhibition with Michael acceptors. Strategies for improving inhibitor design

Inhibition of SARS-CoV-2 3CL protease by a Michael acceptor is studied using classical and QM/MM simulations. Results point out to a transition state with a key water molecule stabilizing the catalytic dyad and assisting the protonation step.

Graphical abstract: A microscopic description of SARS-CoV-2 main protease inhibition with Michael acceptors. Strategies for improving inhibitor design
Open Access Edge Article

Mechanism of inhibition of SARS-CoV-2 Mpro by N3 peptidyl Michael acceptor explained by QM/MM simulations and design of new derivatives with tunable chemical reactivity

QM/MM simulations identify the mechanism of reaction of N3, a covalent peptidyl inhibitor of SARS-CoV-2 main protease. Modelling of two novel proposed compounds, B1 and B2, suggests that reversibility of covalent inhibition could be tailored.

Graphical abstract: Mechanism of inhibition of SARS-CoV-2 Mpro by N3 peptidyl Michael acceptor explained by QM/MM simulations and design of new derivatives with tunable chemical reactivity
Open Access Edge Article

Inhibitor binding influences the protonation states of histidines in SARS-CoV-2 main protease

The main protease (Mpro) of severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) is an attractive target for antiviral therapeutics.

Graphical abstract: Inhibitor binding influences the protonation states of histidines in SARS-CoV-2 main protease
Open Access Edge Article

Probing conformational hotspots for the recognition and intervention of protein complexes by lysine reactivity profiling

A mass spectrometry-based two-step isotope labeling-lysine reactivity profiling strategy is developed to probe the molecular details of protein–protein interactions and evaluate the conformational interventions by small-molecule active compounds.

Graphical abstract: Probing conformational hotspots for the recognition and intervention of protein complexes by lysine reactivity profiling
Open Access Edge Article

Molecular mechanism of inhibiting the SARS-CoV-2 cell entry facilitator TMPRSS2 with camostat and nafamostat

The authors unravel the molecular action principle of nafamostat and camostat, two potential COVID-19 drugs targeting the human protein TMPRSS2.

Graphical abstract: Molecular mechanism of inhibiting the SARS-CoV-2 cell entry facilitator TMPRSS2 with camostat and nafamostat
Open Access Edge Article

Inhibitors of thiol-mediated uptake

Thiol-reactive inhibitors for the cellular entry of cyclic oligochalcogenide (COC) transporters and SARS-CoV-2 spike pseudo-lentivirus are reported.

Graphical abstract: Inhibitors of thiol-mediated uptake
Open Access Edge Article

A serological aptamer-assisted proximity ligation assay for COVID-19 diagnosis and seeking neutralizing aptamers

A versatile aptamer-assisted proximity ligation system improves diagnosis of COVID-19, and allows the evaluation of potential neutralizing aptamers.

Graphical abstract: A serological aptamer-assisted proximity ligation assay for COVID-19 diagnosis and seeking neutralizing aptamers
Open Access Edge Article

Unveiling the molecular mechanism of SARS-CoV-2 main protease inhibition from 137 crystal structures using algebraic topology and deep learning

By integrating algebraic topology and deep learning, we provide a reliable ranking of binding affinities, binding site analysis, and fragment decomposition for 137 SARS-CoV-2 main protease inhibitors.

Graphical abstract: Unveiling the molecular mechanism of SARS-CoV-2 main protease inhibition from 137 crystal structures using algebraic topology and deep learning
259 items - Showing page 1 of 4

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All Royal Society of Chemistry articles on coronavirus research can be found here and are free to access.

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