Related references
Note: Only part of the references are listed.Targeting SARS-CoV-2: a systematic drug repurposing approach to identify promising inhibitors against 3C-like proteinase and 2′-O-ribose methyltransferase
Rameez Jabeer Khan et al.
JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS (2021)
Drug repurposing against SARS-CoV-2 using E-pharmacophore based virtual screening, molecular docking and molecular dynamics with main protease as the target
K. G. Arun et al.
JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS (2021)
In silico Design of Novel Histone Deacetylase 4 Inhibitors: Design Guidelines for Improved Binding Affinity
Shana V. Stoddard et al.
INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES (2020)
A Novel Coronavirus from Patients with Pneumonia in China, 2019
Na Zhu et al.
NEW ENGLAND JOURNAL OF MEDICINE (2020)
Design and synthesis of diazine-based panobinostat analogues for HDAC8 inhibition
Sivaraman Balasubramaniam et al.
BEILSTEIN JOURNAL OF ORGANIC CHEMISTRY (2020)
Combating devastating COVID-19 by drug repurposing
Ashish Yashwantrao Pawar
INTERNATIONAL JOURNAL OF ANTIMICROBIAL AGENTS (2020)
Computational screening of antagonists against the SARS-CoV-2 (COVID-19) coronavirus by molecular docking
Ran Yu et al.
INTERNATIONAL JOURNAL OF ANTIMICROBIAL AGENTS (2020)
Rapid repurposing of drugs for COVID-19
R. Kiplin Guy et al.
SCIENCE (2020)
Structure-based design of antiviral drug candidates targeting the SARS-CoV-2 main protease
Wenhao Dai et al.
SCIENCE (2020)
Crystal structure of SARS-CoV-2 main protease provides a basis for design of improved α-ketoamide inhibitors
Linlin Zhang et al.
SCIENCE (2020)
Structure of Mpro from SARS-CoV-2 and discovery of its inhibitors
Zhenming Jin et al.
NATURE (2020)
In silico studies on therapeutic agents for COVID-19: Drug repurposing approach
Bhumi Shah et al.
LIFE SCIENCES (2020)
Molecular docking and dynamics simulation of FDA approved drugs with the main protease from 2019 novel coronavirus
Hasanain Abdulhameed Odhar et al.
BIOINFORMATION (2020)
Selective Inhibition of Human Monoamine Oxidase B by Acacetin 7-Methyl Ether Isolated from Turnera diffusa (Damiana)
Narayan D. Chaurasiya et al.
MOLECULES (2019)
Design of Potent Panobinostat Histone Deacetylase Inhibitor Derivatives: Molecular Considerations for Enhanced Isozyme Selectivity between HDAC2 and HDAC8
Shana V. Stoddard et al.
MOLECULAR INFORMATICS (2019)
Application of 3D-QSAR, Pharmacophore, and Molecular Docking in the Molecular Design of Diarylpyrimidine Derivatives as HIV-1 Nonnucleoside Reverse Transcriptase Inhibitors
Genyan Liu et al.
INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES (2018)
ZINC 15-Ligand Discovery for Everyone
Teague Sterling et al.
JOURNAL OF CHEMICAL INFORMATION AND MODELING (2015)
Repurposing of Clinically Developed Drugs for Treatment of Middle East Respiratory Syndrome Coronavirus Infection
Julie Dyall et al.
ANTIMICROBIAL AGENTS AND CHEMOTHERAPY (2014)
From SARS to MERS: crystallographic studies on coronaviral proteases enable antiviral drug design
Rolf Hilgenfeld
FEBS JOURNAL (2014)
Heteroaromatic π-Stacking Energy Landscapes
Roland G. Huber et al.
JOURNAL OF CHEMICAL INFORMATION AND MODELING (2014)
Design, Synthesis, Molecular Docking, and Antibacterial Evaluation of Some Novel Flouroquinolone Derivatives as Potent Antibacterial Agent
Mehul M. Patel et al.
TheScientificWorldJOURNAL (2014)
Molecular Docking Studies of Marine Diterpenes as Inhibitors of Wild-Type and Mutants HIV-1 Reverse Transcriptase
Leonardo A. Miceli et al.
MARINE DRUGS (2013)
Is the discovery of the novel human betacoronavirus 2c EMC/2012 (HCoV-EMC) the beginning of another SARS-like pandemic?
Jasper F. W. Chan et al.
JOURNAL OF INFECTION (2012)
Isolation of a Novel Coronavirus from a Man with Pneumonia in Saudi Arabia
Ali Moh Zaki et al.
NEW ENGLAND JOURNAL OF MEDICINE (2012)
Surflex-Dock 2.1: Robust performance from ligand energetic modeling, ring flexibility, and knowledge-based search
Ajay N. Jain
JOURNAL OF COMPUTER-AIDED MOLECULAR DESIGN (2007)
ConSurf 2005: the projection of evolutionary conservation scores of residues on protein structures
M Landau et al.
NUCLEIC ACIDS RESEARCH (2005)
Virtual computational chemistry laboratory - design and description
IV Tetko et al.
JOURNAL OF COMPUTER-AIDED MOLECULAR DESIGN (2005)
UCSF chimera - A visualization system for exploratory research and analysis
EF Pettersen et al.
JOURNAL OF COMPUTATIONAL CHEMISTRY (2004)
The crystal structures of severe acute respiratory syndrome virus main protease and its complex with an inhibitor
HT Yang et al.
PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA (2003)
Newly discovered coronavirus as the primary cause of severe acute respiratory syndrome
T Kuiken et al.
LANCET (2003)
A novel coronavirus associated with severe acute respiratory syndrome
TG Ksiazek et al.
NEW ENGLAND JOURNAL OF MEDICINE (2003)
Identification of a novel coronavirus in patients with severe acute respiratory syndrome
C Drosten et al.
NEW ENGLAND JOURNAL OF MEDICINE (2003)
Surflex: Fully automatic flexible molecular docking using a molecular similarity-based search engine
AN Jain
JOURNAL OF MEDICINAL CHEMISTRY (2003)
ConSurf: Identification of Functional Regions in Proteins by Surface-Mapping of Phylogenetic Information
F Glaser et al.
BIOINFORMATICS (2003)
Fast calculation of molecular polar surface area as a sum of fragment-based contributions and its application to the prediction of drug transport properties
P Ertl et al.
JOURNAL OF MEDICINAL CHEMISTRY (2000)