相关参考文献
注意:仅列出部分参考文献,下载原文获取全部文献信息。An investigation into the identification of potential inhibitors of SARS-CoV-2 main protease using molecular docking study
Sourav Das et al.
JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS (2021)
Repurposing approved drugs as inhibitors of SARS-CoV-2 S-protein from molecular modeling and virtual screening
Osmair Vital de Oliveira et al.
JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS (2021)
A computational prediction of SARS-CoV-2 structural protein inhibitors fromAzadirachta indica(Neem)
Subhomoi Borkotoky et al.
JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS (2021)
Remdesivir and chloroquine effectively inhibit the recently emerged novel coronavirus (2019-nCoV) in vitro
Manli Wang et al.
CELL RESEARCH (2020)
A Novel Coronavirus from Patients with Pneumonia in China, 2019
Na Zhu et al.
NEW ENGLAND JOURNAL OF MEDICINE (2020)
Structure, Function, and Antigenicity of the SARS-CoV-2 Spike Glycoprotein
Alexandra C. Walls et al.
CELL (2020)
SARS-CoV-2 Cell Entry Depends on ACE2 and TMPRSS2 and Is Blocked by a Clinically Proven Protease Inhibitor
Markus Hoffmann et al.
CELL (2020)
COVID-19: a new challenge for human beings
Penghui Yang et al.
CELLULAR & MOLECULAR IMMUNOLOGY (2020)
Coronavirus disease 2019: What we know?
Feng He et al.
JOURNAL OF MEDICAL VIROLOGY (2020)
Rapid Identification of Potential Inhibitors of SARS-CoV-2 Main Protease by Deep Docking of 1.3 Billion Compounds
Anh-Tien Ton et al.
MOLECULAR INFORMATICS (2020)
Structure of the SARS-CoV-2 spike receptor-binding domain bound to the ACE2 receptor
Jun Lan et al.
NATURE (2020)
A Trial of Lopinavir-Ritonavir in Adults Hospitalized with Severe Covid-19
B. Cao et al.
NEW ENGLAND JOURNAL OF MEDICINE (2020)
Repurposing of known anti-virals as potential inhibitors for SARS-CoV-2 main protease using molecular docking analysis
Mohammed Hakmi et al.
BIOINFORMATION (2020)
HawkDock: a web server to predict and analyze the protein-protein complex based on computational docking and MM/GBSA
Gaoqi Weng et al.
NUCLEIC ACIDS RESEARCH (2019)
Bridged α-helix mimetic small molecules
Yeongju Lee et al.
CHEMICAL COMMUNICATIONS (2019)
A systematic analysis of atomic protein-ligand interactions in the PDB
Renato Ferreira de Freitas et al.
MEDCHEMCOMM (2017)
Synthesis and screening of small-molecule α-helix mimetic libraries targeting protein-protein interactions
Heejo Moon et al.
CURRENT OPINION IN CHEMICAL BIOLOGY (2015)
PLIP: fully automated protein-ligand interaction profiler
Sebastian Salentin et al.
NUCLEIC ACIDS RESEARCH (2015)
A unified lead-oriented synthesis of over fifty molecular scaffolds
Richard G. Doveston et al.
ORGANIC & BIOMOLECULAR CHEMISTRY (2015)
The structure and functions of coronavirus genomic 3′ and 5′ ends
Dong Yang et al.
VIRUS RESEARCH (2015)
Evol and ProDy for bridging protein sequence evolution and structural dynamics
Ahmet Bakan et al.
BIOINFORMATICS (2014)
Rings in Drugs
Richard D. Taylor et al.
JOURNAL OF MEDICINAL CHEMISTRY (2014)
Coronaviruses Resistant to a 3C-Like Protease Inhibitor Are Attenuated for Replication and Pathogenesis, Revealing a Low Genetic Barrier but High Fitness Cost of Resistance
Xufang Deng et al.
JOURNAL OF VIROLOGY (2014)
The Future of Peptide-based Drugs
David J. Craik et al.
CHEMICAL BIOLOGY & DRUG DESIGN (2013)
Molecular basis of binding between novel human coronavirus MERS-CoV and its receptor CD26
Guangwen Lu et al.
NATURE (2013)
ZINC: A Free Tool to Discover Chemistry for Biology
John J. Irwin et al.
JOURNAL OF CHEMICAL INFORMATION AND MODELING (2012)
Discovery of Seven Novel Mammalian and Avian Coronaviruses in the Genus Deltacoronavirus Supports Bat Coronaviruses as the Gene Source of Alphacoronavirus and Betacoronavirus and Avian Coronaviruses as the Gene Source of Gammacoronavirus and Deltacoronavirus
Patrick C. Y. Woo et al.
JOURNAL OF VIROLOGY (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)
ProDy: Protein Dynamics Inferred from Theory and Experiments
Ahmet Bakan et al.
BIOINFORMATICS (2011)
Chemical and structural lessons from recent successes in protein-protein interaction inhibition (2P2I)
Xavier Morelli et al.
CURRENT OPINION IN CHEMICAL BIOLOGY (2011)
Using Free Energy of Binding Calculations To Improve the Accuracy of Virtual Screening Predictions
Robert D. Malmstrom et al.
JOURNAL OF CHEMICAL INFORMATION AND MODELING (2011)
The VSGB 2.0 model: A next generation energy model for high resolution protein structure modeling
Jianing Li et al.
PROTEINS-STRUCTURE FUNCTION AND BIOINFORMATICS (2011)
Open Babel: An open chemical toolbox
Noel M. O'Boyle et al.
JOURNAL OF CHEMINFORMATICS (2011)
Small-Molecule Protein-Protein Interaction Inhibitors: Therapeutic Potential in Light of Molecular Size, Chemical Space, and Ligand Binding Efficiency Considerations
Peter Buchwald
IUBMB LIFE (2010)
New Substructure Filters for Removal of Pan Assay Interference Compounds (PAINS) from Screening Libraries and for Their Exclusion in Bioassays
Jonathan B. Baell et al.
JOURNAL OF MEDICINAL CHEMISTRY (2010)
Bcl-2 inhibitors: small molecules with a big impact on cancer therapy
M. Vogler et al.
CELL DEATH AND DIFFERENTIATION (2009)
The road less traveled: modulating signal transduction enzymes by inhibiting their protein-protein interactions
Michelle R. Arkin et al.
CURRENT OPINION IN CHEMICAL BIOLOGY (2009)
AutoDock4 and AutoDockTools4: Automated Docking with Selective Receptor Flexibility
Garrett M. Morris et al.
JOURNAL OF COMPUTATIONAL CHEMISTRY (2009)
Lessons learnt from assembling screening libraries for drug discovery for neglected diseases
Ruth Brenk et al.
CHEMMEDCHEM (2008)
Small-molecule inhibitors of the p53-HDM2 interaction for the treatment of cancer
Sharmila Patel et al.
EXPERT OPINION ON INVESTIGATIONAL DRUGS (2008)
Bio3d: an R package for the comparative analysis of protein structures
Barry J. Grant et al.
BIOINFORMATICS (2006)
A crucial role of angiotensin converting enzyme 2 (ACE2) in SARS coronavirus-induced lung injury
K Kuba et al.
NATURE MEDICINE (2005)
Characterization and complete genome sequence of a novel coronavirus, coronavirus HKU1, from patients with pneumonia
PCY Woo et al.
JOURNAL OF VIROLOGY (2005)
Identification of a new human coronavirus
L van der Hoek et al.
NATURE MEDICINE (2004)
UCSF chimera - A visualization system for exploratory research and analysis
EF Pettersen et al.
JOURNAL OF COMPUTATIONAL CHEMISTRY (2004)
Identification of a novel coronavirus in patients with severe acute respiratory syndrome
C Drosten et al.
NEW ENGLAND JOURNAL OF MEDICINE (2003)