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。In-silico identification of new inhibitors for low-density lipoprotein 5receptor-related protein6 (LRP6)
Maryam Enayatkhani et al.
JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS (2022)
Oil-in-water nanoemulsions comprising Berberine in olive oil: biological activities, binding mechanisms to human serum albumin or holo-transferrin and QMMD simulations
Atena Sharifi-Rad et al.
JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS (2021)
Peptide-like and small-molecule inhibitors against Covid-19
Suyash Pant et al.
JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS (2021)
SARS-CoV-2 RNA dependent RNA polymerase (RdRp) targeting: an in silico perspective
Abdo A. Elfiky
JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS (2021)
Moroccan Medicinal plants as inhibitors against SARS-CoV-2 main protease: Computational investigations
I. Aanouz et al.
JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS (2021)
Discovery of potential multi-target-directed ligands by targeting host-specific SARS-CoV-2 structurally conserved main protease
Rakesh S. Joshi et al.
JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS (2021)
Computational studies of drug repurposing and synergism of lopinavir, oseltamivir and ritonavir binding with SARS-CoV-2 protease against COVID-19
Nisha Muralidharan et al.
JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS (2021)
Andrographolide as a potential inhibitor of SARS-CoV-2 main protease: an in silico approach
Sukanth Kumar Enmozhi et al.
JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS (2021)
Novel guanosine derivatives against MERS CoV polymerase: An in silico perspective
Abdo A. Elfiky et al.
JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS (2021)
In-silico homology assisted identification of inhibitor of RNA binding against 2019-nCoV N-protein (N terminal domain)
Phulen Sarma et al.
JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS (2021)
Homology modeling andin silicodesign of novel and potential dual-acting inhibitors of human histone deacetylases HDAC5 and HDAC9 isozymes
Ammar D. Elmezayen et al.
JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS (2021)
Structure-based virtual screening, molecular dynamics simulation and MM-PBSA toward identifying the inhibitors for two-component regulatory system protein NarL of Mycobacterium Tuberculosis
Niranjan Kumar et al.
JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS (2020)
Unique epidemiological and clinical features of the emerging 2019 novel coronavirus pneumonia (COVID-19) implicate special control measures
Yixuan Wang et al.
JOURNAL OF MEDICAL VIROLOGY (2020)
Genomic characterisation and epidemiology of 2019 novel coronavirus: implications for virus origins and receptor binding
Roujian Lu et al.
LANCET (2020)
The species Severe acute respiratory syndrome-related coronavirus: classifying 2019-nCoV and naming it SARS-CoV-2
Alexander E. Gorbalenya et al.
NATURE MICROBIOLOGY (2020)
Structure, Function, and Antigenicity of the SARS-CoV-2 Spike Glycoprotein
Alexandra C. Walls et al.
CELL (2020)
Inhibition of SARS-CoV-2 (previously 2019-nCoV) infection by a highly potent pan-coronavirus fusion inhibitor targeting its spike protein that harbors a high capacity to mediate membrane fusion
Shuai Xia et al.
CELL RESEARCH (2020)
Structure of mouse coronavirus spike protein complexed with receptor reveals mechanism for viral entry
Jian Shang et al.
PLoS Pathogens (2020)
Structural basis of receptor recognition by SARS-CoV-2
Jian Shang et al.
NATURE (2020)
Insights from nanomedicine into chloroquine efficacy against COVID-19
Tony Y. Hu et al.
NATURE NANOTECHNOLOGY (2020)
Multi-spectroscopic and molecular modeling studies to reveal the interaction between propyl acridone and calf thymus DNA in the presence of histone H1: binary and ternary approaches
Niloufar Shakibapour et al.
JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS (2019)
The human coronavirus HCoV-229E S-protein structure and receptor binding
Zhijie Li et al.
ELIFE (2019)
New insights into the binding behavior of lomefloxacin and human hemoglobin using biophysical techniques: binary and ternary approaches
Parisa Mokaberi et al.
NEW JOURNAL OF CHEMISTRY (2019)
Elucidation of stable intermediates in urea-induced unfolding pathway of human carbonic anhydrase IX
Amresh Prakash et al.
JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS (2018)
TFE-induced local unfolding and fibrillation of SOD1: bridging the experiment and simulation studies
Vijay Kumar et al.
BIOCHEMICAL JOURNAL (2018)
Comparison of molecular mechanics-Poisson-Boltzmann surface area (MM-PBSA) and molecular mechanics-three-dimensional reference interaction site model (MM-3D-RISM) method to calculate the binding free energy of protein-ligand complexes: Effect of metal ion and advance statistical test
Preeti Pandey et al.
CHEMICAL PHYSICS LETTERS (2018)
Discovery of novel Methylsulfonyl phenyl derivatives as potent human Cyclooxygenase-2 inhibitors with effective anticonvulsant action: Design, synthesis, in-silico, in-vitro and in-vivo evaluation
Chandra Bhushan Mishra et al.
EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY (2018)
Probing the binding of lomefloxacin to a calf thymus DNA-histone H1 complex by multi-spectroscopic and molecular modeling techniques
Tahmineh Sohrabi et al.
JOURNAL OF MOLECULAR LIQUIDS (2018)
Pot-economic synthesis of diarylpyrazoles and pyrimidines involving Pd-catalyzed cross-coupling of 3-trifloxychromone and triarylbismuth
Abhijeet Kumar et al.
JOURNAL OF CHEMICAL SCIENCES (2018)
Identification of inhibitors against α-Isopropylmalate Synthase of Mycobacterium tuberculosis using docking-MM/PBSA hybrid approach
Preeti Pandey et al.
BIOINFORMATION (2017)
TMPRSS2: A potential target for treatment of influenza virus and coronavirus infections
Li Wen Shen et al.
BIOCHIMIE (2017)
Targeting endosomal acidification by chloroquine analogs as a promising strategy for the treatment of emerging viral diseases
Md Abdul Alim Al-Bari
PHARMACOLOGY RESEARCH & PERSPECTIVES (2017)
Calculating protein-ligand binding affinities with MMPBSA: Method and error analysis
Changhao Wang et al.
JOURNAL OF COMPUTATIONAL CHEMISTRY (2016)
Pre-fusion structure of a human coronavirus spike protein
Robert N. Kirchdoerfer et al.
NATURE (2016)
Significance and Biological Importance of Pyrimidine in the Microbial World
Vinita Sharma et al.
INTERNATIONAL JOURNAL OF MEDICINAL CHEMISTRY (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)
Insilico study of the A2AR-D2R kinetics and interfacial contact surface for heteromerization
Amresh Prakash et al.
AMINO ACIDS (2012)
Sanjeevini: a freely accessible web-server for target directed lead molecule discovery
B. Jayaram et al.
BMC BIOINFORMATICS (2012)
Structural basis of inhibition of Mycobacterium tuberculosis DprE1 by benzothiazinone inhibitors
Sarah M. Batt et al.
PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA (2012)
Mechanisms of Coronavirus Cell Entry Mediated by the Viral Spike Protein
Sandrine Belouzard et al.
VIRUSES-BASEL (2012)
Principles of early drug discovery
J. P. Hughes et al.
BRITISH JOURNAL OF PHARMACOLOGY (2011)
SwissParam: A Fast Force Field Generation Tool for Small Organic Molecules
Vincent Zoete et al.
JOURNAL OF COMPUTATIONAL CHEMISTRY (2011)
Synthesis and Biological Evaluation of 2,4,5-Substituted Pyrimidines as a New Class of Tubulin Polymerization Inhibitors
Fuchun Xie et al.
JOURNAL OF MEDICINAL CHEMISTRY (2011)
Synthesis, Antioxidant, Antituomer Activities of Some New Thiazolopyrimidines, Pyrrolothiazolopyrimidines and Triazolopyrrolothiazolopyrimidines Derivatives
Ameen Ali Abu-Hashem et al.
JOURNAL OF THE CHINESE CHEMICAL SOCIETY (2011)
AutoDock4 and AutoDockTools4: Automated Docking with Selective Receptor Flexibility
Garrett M. Morris et al.
JOURNAL OF COMPUTATIONAL CHEMISTRY (2009)
The spike protein of SARS-CoV - a target for vaccine and therapeutic development
Lanying Du et al.
NATURE REVIEWS MICROBIOLOGY (2009)
Structures and Mechanisms of Viral Membrane Fusion Proteins: Multiple Variations on a Common Theme
Judith M. White et al.
CRITICAL REVIEWS IN BIOCHEMISTRY AND MOLECULAR BIOLOGY (2008)
Determination of alkali and halide monovalent ion parameters for use in explicitly solvated biomolecular simulations
In Suk Joung et al.
JOURNAL OF PHYSICAL CHEMISTRY B (2008)
Chloroquine is a potent inhibitor of SARS coronavirus infection and spread
Martin J. Vincent et al.
VIROLOGY JOURNAL (2005)
Role of ADME characteristics in drug discovery and their in silico evaluation: In silico screening of chemicals for their metabolic stability
VK Gombar et al.
CURRENT TOPICS IN MEDICINAL CHEMISTRY (2003)
Chemoinformatics and drug discovery
J Xu et al.
MOLECULES (2002)
Bicyclic pyrimidine nucleoside analogues (BCNAs) as highly selective and potent inhibitors of varicella-zoster virus replication
J Balzarini et al.
JOURNAL OF ANTIMICROBIAL CHEMOTHERAPY (2002)