Remdesivir and Ledipasvir among the FDA-Approved Antiviral Drugs Have Potential to Inhibit SARS-CoV-2 Replication

Virus against virus: a potential treatment for 2019-nCov (SARS-CoV-2) and other RNA viruses

(2020) Tuan M. Nguyen et al.   CELL RESEARCH

Remdesivir and chloroquine effectively inhibit the recently emerged novel coronavirus (2019-nCoV) in vitro

(2020) Manli Wang et al.   CELL RESEARCH

Anti-HCV, nucleotide inhibitors, repurposing against COVID-19

(2020) Abdo A. Elfiky   LIFE SCIENCES

Sofosbuvir as Repurposed Antiviral Drug Against COVID-19: Why Were We Convinced to Evaluate the Drug in a Registered/Approved Clinical Trial?

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Remdesivir in adults with severe COVID-19: a randomised, double-blind, placebo-controlled, multicentre trial

(2020) Yeming Wang et al.   LANCET

Application of MM-PBSA Methods in Virtual Screening

(2020) Giulio Poli et al.   MOLECULES

Structure of the RNA-dependent RNA polymerase from COVID-19 virus

(2020) Yan Gao et al.   SCIENCE

The Impact of Mutations in SARS-CoV-2 Spike on Viral Infectivity and Antigenicity

(2020) Qianqian Li et al.   CELL

Analysis of SARS-CoV-2 RNA-dependent RNA polymerase as a potential therapeutic drug target using a computational approach

(2020) Syed Ovais Aftab et al.   Journal of Translational Medicine

Calicivirus RNA-Dependent RNA Polymerases: Evolution, Structure, Protein Dynamics, and Function

(2019) Elena Smertina et al.   Frontiers in Microbiology

A Comparative Linear Interaction Energy and MM/PBSA Study on SIRT1–Ligand Binding Free Energy Calculation

(2019) Eko Aditya Rifai et al.   Journal of Chemical Information and Modeling

Structural and Dynamic Characterizations Highlight the Deleterious Role of SULT1A1 R213H Polymorphism in Substrate Binding

(2019) Raju Dash et al.   INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES

Molecular dynamics and docking reveal the potency of novel GTP derivatives against RNA dependent RNA polymerase of genotype 4a HCV

(2019) Abdo A. Elfiky et al.   LIFE SCIENCES

A Randomized, Controlled Trial of Ebola Virus Disease Therapeutics

(2019) Sabue Mulangu et al.   NEW ENGLAND JOURNAL OF MEDICINE

Innovation and trends in the development and approval of antiviral medicines: 1987–2017 and beyond

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Ledipasvir/Sofosbuvir: A Review in Chronic Hepatitis C

(2018) Lesley J. Scott   DRUGS

Approved Antiviral Drugs over the Past 50 Years

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Insights into Protein–Ligand Interactions: Mechanisms, Models, and Methods

(2016) Xing Du et al.   INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES

Zika viral polymerase inhibition using anti-HCV drugs both in market and under clinical trials

(2016) Abdo A. Elfiky   JOURNAL OF MEDICAL VIROLOGY

Therapeutic efficacy of the small molecule GS-5734 against Ebola virus in rhesus monkeys

(2016) Travis K. Warren et al.   NATURE

Epidemiology, Genetic Recombination, and Pathogenesis of Coronaviruses

(2016) Shuo Su et al.   TRENDS IN MICROBIOLOGY

New drugs: Ledipasvir with sofosbuvir

(2015)   Australian Prescriber

Structure of the L Protein of Vesicular Stomatitis Virus from Electron Cryomicroscopy

(2015) Bo Liang et al.   CELL

Rigidity versus flexibility: the dilemma of understanding protein thermal stability

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A Structural Overview of RNA-Dependent RNA Polymerases from the Flaviviridae Family

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Best bang for your buck: GPU nodes for GROMACS biomolecular simulations

(2015) Carsten Kutzner et al.   JOURNAL OF COMPUTATIONAL CHEMISTRY

g_mmpbsa—A GROMACS Tool for High-Throughput MM-PBSA Calculations

(2014) Rashmi Kumari et al.   Journal of Chemical Information and Modeling

Dynamics of Gal80p in the Gal80p–Gal3p complex differ significantly from the dynamics in the Gal80p–Gal1p complex: implications for the higher specificity of Gal3p

(2014) Sanjay K. Upadhyay   Molecular BioSystems

GROMACS 4.5: a high-throughput and highly parallel open source molecular simulation toolkit

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CHARMM36 all-atom additive protein force field: Validation based on comparison to NMR data

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Molecular Dynamics Simulations of DNA-Free and DNA-Bound TAL Effectors

(2013) Hua Wan et al.   PLoS One

MMPBSA.py: An Efficient Program for End-State Free Energy Calculations

(2012) Bill R. Miller et al.   Journal of Chemical Theory and Computation

Extension of the CHARMM general force field to sulfonyl-containing compounds and its utility in biomolecular simulations

(2012) Wenbo Yu et al.   JOURNAL OF COMPUTATIONAL CHEMISTRY

Free Energy Calculations by the Molecular Mechanics Poisson−Boltzmann Surface Area Method

(2012) Nadine Homeyer et al.   Molecular Informatics

Anti-HCV drugs in the pipeline

(2011) Priscilla L Yang et al.   Current Opinion in Virology

Relation between Free Energy Landscapes of Proteins and Dynamics

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Assessing the performance of the molecular mechanics/Poisson Boltzmann surface area and molecular mechanics/generalized Born surface area methods. II. The accuracy of ranking poses generated from docking

(2010) Tingjun Hou et al.   JOURNAL OF COMPUTATIONAL CHEMISTRY

A structural analysis of M protein in coronavirus assembly and morphology

(2010) Benjamin W. Neuman et al.   JOURNAL OF STRUCTURAL BIOLOGY

The role of dynamic conformational ensembles in biomolecular recognition

(2009) David D Boehr et al.   Nature Chemical Biology

Thr729 in human topoisomerase I modulates anti-cancer drug resistance by altering protein domain communications as suggested by molecular dynamics simulations

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