Targeting SARS-CoV-2: a systematic drug repurposing approach to identify promising inhibitors against 3C-like proteinase and 2′-O-ribose methyltransferase

Clinical features of patients infected with 2019 novel coronavirus in Wuhan, China

(2020) Chaolin Huang et al.   LANCET

A Novel Coronavirus from Patients with Pneumonia in China, 2019

(2020) Na Zhu et al.   NEW ENGLAND JOURNAL OF MEDICINE

The Light and Dark Sides of Virtual Screening: What Is There to Know?

(2019) Aleix Gimeno et al.   INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES

Weighing-up protein dynamics: the combination of native mass spectrometry and molecular dynamics simulations

(2019) Erik G Marklund et al.   CURRENT OPINION IN STRUCTURAL BIOLOGY

Screening of promising molecules against MurG as drug target in multi-drug-resistant-Acinetobacter baumannii - insights from comparative protein modeling, molecular docking and molecular dynamics simulation

(2019) Gizachew Muluneh Amera et al.   JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS

Identifying natural compounds as multi-target-directed ligands against Alzheimer’s disease: an in silico approach

(2018) Pravin Ambure et al.   JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS

SWISS-MODEL: homology modelling of protein structures and complexes

(2018) Andrew Waterhouse et al.   NUCLEIC ACIDS RESEARCH

Drug repurposing: progress, challenges and recommendations

(2018) Sudeep Pushpakom et al.   NATURE REVIEWS DRUG DISCOVERY

Coformulated bictegravir, emtricitabine, and tenofovir alafenamide versus dolutegravir with emtricitabine and tenofovir alafenamide, for initial treatment of HIV-1 infection (GS-US-380–1490): a randomised, double-blind, multicentre, phase 3, non-inferiority trial

(2017) Paul E Sax et al.   LANCET

DrugBank 5.0: a major update to the DrugBank database for 2018

(2017) David S Wishart et al.   NUCLEIC ACIDS RESEARCH

PDBsum: Structural summaries of PDB entries

(2017) Roman A. Laskowski et al.   PROTEIN SCIENCE

Sustained virologic response of 100% in HCV genotype 1b patients with cirrhosis receiving ombitasvir/paritaprevir/r and dasabuvir for 12 weeks

(2016) Jordan J. Feld et al.   JOURNAL OF HEPATOLOGY

Epidemiology, Genetic Recombination, and Pathogenesis of Coronaviruses

(2016) Shuo Su et al.   TRENDS IN MICROBIOLOGY

Ombitasvir, Paritaprevir Co-dosed With Ritonavir, Dasabuvir, and Ribavirin for Hepatitis C in Patients Co-infected With HIV-1

(2015) Mark S. Sulkowski et al.   JAMA-JOURNAL OF THE AMERICAN MEDICAL ASSOCIATION

New antiviral agents for the treatment of hepatitis C: ABT-450

(2014) Andres F Carrion et al.   EXPERT OPINION ON PHARMACOTHERAPY

Attenuation and Restoration of Severe Acute Respiratory Syndrome Coronavirus Mutant Lacking 2'-O-Methyltransferase Activity

(2014) V. D. Menachery et al.   JOURNAL OF VIROLOGY

Coronavirus non-structural protein 16: Evasion, attenuation, and possible treatments

(2014) Vineet D. Menachery et al.   VIRUS RESEARCH

Dolutegravir versus raltegravir in antiretroviral-experienced, integrase-inhibitor-naive adults with HIV: week 48 results from the randomised, double-blind, non-inferiority SAILING study

(2013) Pedro Cahn et al.   LANCET

Dolutegravir plus Abacavir–Lamivudine for the Treatment of HIV-1 Infection

(2013) Sharon L. Walmsley et al.   NEW ENGLAND JOURNAL OF MEDICINE

GalaxyWEB server for protein structure prediction and refinement

(2012) J. Ko et al.   NUCLEIC ACIDS RESEARCH

Comparing proteins by their internal dynamics: Exploring structure–function relationships beyond static structural alignments

(2012) Cristian Micheletti   Physics of Life Reviews

Biochemical and Structural Insights into the Mechanisms of SARS Coronavirus RNA Ribose 2′-O-Methylation by nsp16/nsp10 Protein Complex

(2011) Yu Chen et al.   PLoS Pathogens

Toward the estimation of the absolute quality of individual protein structure models

(2010) Pascal Benkert et al.   BIOINFORMATICS

Molecular Mapping of the RNA Cap 2′-O-Methyltransferase Activation Interface between Severe Acute Respiratory Syndrome Coronavirus nsp10 and nsp16

(2010) Adrien Lugari et al.   JOURNAL OF BIOLOGICAL CHEMISTRY

BLAST+: architecture and applications

(2009) Christiam Camacho et al.   BMC BIOINFORMATICS

AutoDock Vina: Improving the speed and accuracy of docking with a new scoring function, efficient optimization, and multithreading

(2009) Oleg Trott et al.   JOURNAL OF COMPUTATIONAL CHEMISTRY

An Improved United Atom Force Field for Simulation of Mixed Lipid Bilayers

(2009) See-Wing Chiu et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Protein structure homology modeling using SWISS-MODEL workspace

(2009) Lorenza Bordoli et al.   Nature Protocols

Improving physical realism, stereochemistry, and side-chain accuracy in homology modeling: Four approaches that performed well in CASP8

(2009) Elmar Krieger et al.   PROTEINS-STRUCTURE FUNCTION AND BIOINFORMATICS