(Q90255727)

PubMed ID

32162456

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:32162456%20AND%20SRC:MED&resulttype=core&format=json

12 April 2020

title

Rapid Identification of Potential Inhibitors of SARS-CoV-2 Main Protease by Deep Docking of 1.3 Billion Compounds (English)

1 reference

PubMed ID

32162456

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:32162456%20AND%20SRC:MED&resulttype=core&format=json

12 April 2020

1 reference

1 reference

2

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:32162456%20AND%20SRC:MED&resulttype=core&format=json

27 May 2020

author name string

Anh-Tien Ton

1

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:32162456%20AND%20SRC:MED&resulttype=core&format=json

27 May 2020

Michael Hsing

3

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:32162456%20AND%20SRC:MED&resulttype=core&format=json

27 May 2020

Fuqiang Ban

4

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:32162456%20AND%20SRC:MED&resulttype=core&format=json

27 May 2020

Artem Cherkasov

5

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:32162456%20AND%20SRC:MED&resulttype=core&format=json

27 May 2020

publication date

11 March 2020

1 reference

PubMed ID

32162456

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:32162456%20AND%20SRC:MED&resulttype=core&format=json

12 April 2020

published in

Molecular Informatics

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:32162456%20AND%20SRC:MED&resulttype=core&format=json

The properties of known drugs. 1. Molecular frameworks

27 May 2020

cites work

1 reference

12 December 2020

The Protein Data Bank

1 reference

12 December 2020

The mechanism of action of ribavirin: lethal mutagenesis of RNA virus genomes mediated by the viral RNA-dependent RNA polymerase

1 reference

12 December 2020

Coronavirus main proteinase (3CLpro) structure: basis for design of anti-SARS drugs

1 reference

12 December 2020

The crystal structures of severe acute respiratory syndrome virus main protease and its complex with an inhibitor

1 reference

12 December 2020

Role of lopinavir/ritonavir in the treatment of SARS: initial virological and clinical findings.

1 reference

12 December 2020

Glide: a new approach for rapid, accurate docking and scoring. 1. Method and assessment of docking accuracy

1 reference

12 December 2020

Coronavirus 3CLpro proteinase cleavage sites: possible relevance to SARS virus pathology

1 reference

12 December 2020

High-throughput screening identifies inhibitors of the SARS coronavirus main proteinase

1 reference

12 December 2020

Identification of critical determinants on ACE2 for SARS-CoV entry and development of a potent entry inhibitor

1 reference

12 December 2020

Structure-based drug design and structural biology study of novel nonpeptide inhibitors of severe acute respiratory syndrome coronavirus main protease.

1 reference

12 December 2020

Targeting proteases: successes, failures and future prospects

1 reference

12 December 2020

BindingDB: a web-accessible database of experimentally determined protein-ligand binding affinities

1 reference

12 December 2020

Design, synthesis and antiviral efficacy of a series of potent chloropyridyl ester-derived SARS-CoV 3CLpro inhibitors

1 reference

12 December 2020

Conformer generation with OMEGA: algorithm and validation using high quality structures from the Protein Databank and Cambridge Structural Database

1 reference

12 December 2020

Identification of novel malarial cysteine protease inhibitors using structure-based virtual screening of a focused cysteine protease inhibitor library

1 reference

12 December 2020

Directory of useful decoys, enhanced (DUD-E): better ligands and decoys for better benchmarking

1 reference

12 December 2020

Discovery of N-(benzo[1,2,3]triazol-1-yl)-N-(benzyl)acetamido)phenyl) carboxamides as severe acute respiratory syndrome coronavirus (SARS-CoV) 3CLpro inhibitors: Identification of ML300 and noncovalent nanomolar inhibitors with an induced-fit binding

1 reference

12 December 2020

Identification of novel drug scaffolds for inhibition of SARS-CoV 3-Chymotrypsin-like protease using virtual and high-throughput screenings

1 reference

12 December 2020

Evidence for substrate binding-induced zwitterion formation in the catalytic Cys-His dyad of the SARS-CoV main protease

1 reference

12 December 2020

A Comparative Assessment of Predictive Accuracies of Conventional and Machine Learning Scoring Functions for Protein-Ligand Binding Affinity Prediction

1 reference

12 December 2020

ZINC 15--Ligand Discovery for Everyone

1 reference

12 December 2020

Potential Broad Spectrum Inhibitors of the Coronavirus 3CLpro: A Virtual Screening and Structure-Based Drug Design Study

1 reference

12 December 2020

Coronaviruses - drug discovery and therapeutic options.

1 reference

12 December 2020

An Overview of Severe Acute Respiratory Syndrome-Coronavirus (SARS-CoV) 3CL Protease Inhibitors: Peptidomimetics and Small Molecule Chemotherapy.

1 reference

12 December 2020

SARS and MERS: recent insights into emerging coronaviruses

1 reference

12 December 2020

Design and Validation of Novel Chikungunya Virus Protease Inhibitors

1 reference

12 December 2020

SARS-CoV 3CL protease cleaves its C-terminal autoprocessing site by novel subsite cooperativity.

1 reference

12 December 2020

Protein-Ligand Scoring with Convolutional Neural Networks.

1 reference

12 December 2020

Software for molecular docking: a review.

1 reference

12 December 2020

The Taxonomy of Covalent Inhibitors

1 reference

12 December 2020

From SARS to MERS, Thrusting Coronaviruses into the Spotlight

1 reference

12 December 2020

Ultra-large library docking for discovering new chemotypes

1 reference

12 December 2020

DeepBindRG: a deep learning based method for estimating effective protein-ligand affinity

1 reference

12 December 2020

The continuing 2019-nCoV epidemic threat of novel coronaviruses to global health - The latest 2019 novel coronavirus outbreak in Wuhan, China

1 reference

12 December 2020

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

1 reference

12 December 2020

The antiviral compound remdesivir potently inhibits RNA-dependent RNA polymerase from Middle East respiratory syndrome coronavirus

1 reference

12 December 2020

Therapeutic options for the 2019 novel coronavirus (2019-nCoV)

1 reference

12 December 2020

Deep Learning Based Drug Screening for Novel Coronavirus 2019-nCov

1 reference

12 December 2020

Benchmark of four popular virtual screening programs: construction of the active/decoy dataset remains a major determinant of measured performance

1 reference

COCI

https://opencitations.net/index/coci/api/v1/citations/10.1186/S13321-016-0167-X

3 January 2022

Identifiers

10.1002/MINF.202000028

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:32162456%20AND%20SRC:MED&resulttype=core&format=json

Dimensions Publication ID

27 May 2020

COVIDWHO ID

covidwho-6872

0 references

1125561685

1 reference

Dimensions COVID-19 publications, datasets and clinical trials

10.6084/M9.FIGSHARE.11961063

28 May 2020

2 references

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:32162456%20AND%20SRC:MED&resulttype=core&format=json

27 May 2020

Dimensions COVID-19 publications, datasets and clinical trials

10.6084/M9.FIGSHARE.11961063

28 May 2020

2 references

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:32162456%20AND%20SRC:MED&resulttype=core&format=json

27 May 2020

Dimensions COVID-19 publications, datasets and clinical trials

10.6084/M9.FIGSHARE.11961063