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。SARS-CoV-2 Mpro inhibitors and activity-based probes for patient-sample imaging
Wioletta Rut et al.
NATURE CHEMICAL BIOLOGY (2021)
Potent Noncovalent Inhibitors of the Main Protease of SARS-CoV-2 from Molecular Sculpting of the Drug Perampanel Guided by Free Energy Perturbation Calculations
Chun-Hui Zhang et al.
ACS CENTRAL SCIENCE (2021)
Identification of mutation resistance coldspots for targeting the SARS-CoV2 main protease
Navaneethakrishnan Krishnamoorthy et al.
IUBMB LIFE (2021)
The dimer-monomer equilibrium of SARS-CoV-2 main protease is affected by small molecule inhibitors
Lucia Silvestrini et al.
SCIENTIFIC REPORTS (2021)
Inhibitor binding influences the protonation states of histidines in SARS-CoV-2 main protease
Anna Pavlova et al.
CHEMICAL SCIENCE (2021)
A new coronavirus associated with human respiratory disease in China
Fan Wu et al.
NATURE (2020)
Drug Development and Medicinal Chemistry Efforts toward SARS-Coronavirus and Covid-19 Therapeutics
Arun K. Ghosh et al.
CHEMMEDCHEM (2020)
Structural and Evolutionary Analysis Indicate That the SARS-CoV-2 Mpro Is a Challenging Target for Small-Molecule Inhibitor Design
Maria Bzowka et al.
INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES (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)
Safety perspectives on presently considered drugs for the treatment of COVID-19
Sophie L. Penman et al.
BRITISH JOURNAL OF PHARMACOLOGY (2020)
SARS-CoV-2 Main Protease: A Molecular Dynamics Study
Dimas Suarez et al.
JOURNAL OF CHEMICAL INFORMATION AND MODELING (2020)
Drug binding dynamics of the dimeric SARS-CoV-2 main protease, determined by molecular dynamics simulation
Teruhisa S. Komatsu et al.
SCIENTIFIC REPORTS (2020)
Prediction of potential inhibitors of the dimeric SARS-CoV2 main proteinase through the MM/GBSA approach
Martiniano Bello
JOURNAL OF MOLECULAR GRAPHICS & MODELLING (2020)
OPLS3e: Extending Force Field Coverage for Drug-Like Small Molecules
Katarina Roos et al.
JOURNAL OF CHEMICAL THEORY AND COMPUTATION (2019)
Inhibition of Porcine Aminopeptidase M (pAMP) by the Pentapeptide Microginins
Glaucio Monteiro Ferreira et al.
MOLECULES (2019)
OPLS3: A Force Field Providing Broad Coverage of Drug-like Small Molecules and Proteins
Edward Harder et al.
JOURNAL OF CHEMICAL THEORY AND COMPUTATION (2016)
An Overview of Severe Acute Respiratory Syndrome-Coronavirus (SARS-CoV) 3CL Protease Inhibitors: Peptidomimetics and Small Molecule Chemotherapy
Thanigaimalai Pillaiyar et al.
JOURNAL OF MEDICINAL CHEMISTRY (2016)
Structure of Main Protease from Human Coronavirus NL63: Insights for Wide Spectrum Anti-Coronavirus Drug Design
Fenghua Wang et al.
SCIENTIFIC REPORTS (2016)
Evidence for Substrate Binding-Induced Zwitterion Formation in the Catalytic Cys-His Dyad of the SARS-CoV Main Protease
Alexander Paasche et al.
BIOCHEMISTRY (2014)
Protein and ligand preparation: parameters, protocols, and influence on virtual screening enrichments
G. Madhavi Sastry et al.
JOURNAL OF COMPUTER-AIDED MOLECULAR DESIGN (2013)
Role of the active-site solvent in the thermodynamics of factor Xa ligand binding
Robert Abel et al.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2008)
Dynamic personalities of proteins
Katherine Henzler-Wildman et al.
NATURE (2007)
Motifs for molecular recognition exploiting hydrophobic enclosure in protein-ligand binding
Tom Young et al.
PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA (2007)
Only one protomer is active in the dimer of SARS 3C-like proteinase
Hao Chen et al.
JOURNAL OF BIOLOGICAL CHEMISTRY (2006)
Water structure and interactions with protein surfaces
TM Raschke
CURRENT OPINION IN STRUCTURAL BIOLOGY (2006)
Molecular simplification in bioactive molecules:: Formal synthesis of (+)-muconin
FRP Crisóstomo et al.
JOURNAL OF ORGANIC CHEMISTRY (2006)
Design of wide-spectrum inhibitors targeting coronavirus main proteases
HT Yang et al.
PLOS BIOLOGY (2005)
ConSurf 2005: the projection of evolutionary conservation scores of residues on protein structures
M Landau et al.
NUCLEIC ACIDS RESEARCH (2005)
Critical assessment of important regions in the subunit association and catalytic action of the severe acute respiratory syndrome coronavirus main protease
WC Hsu et al.
JOURNAL OF BIOLOGICAL CHEMISTRY (2005)
Severe acute respiratory syndrome coronavirus 3C-like proteinase n terminus is indispensable for proteolytic activity but not for enzyme dimerization - Biochemical and thermodynamic investigation in conjunction with molecular dynamics simulations
S Chen et al.
JOURNAL OF BIOLOGICAL CHEMISTRY (2005)
A hierarchical approach to all-atom protein loop prediction
MP Jacobson et al.
PROTEINS-STRUCTURE FUNCTION AND BIOINFORMATICS (2004)
Quaternary structure of the severe acute respiratory syndrome (SARS) coronavirus main protease
CY Chou et al.
BIOCHEMISTRY (2004)