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Structure‐guided screening of chemical database to identify NS3‐NS2B inhibitors for effective therapeutic application in dengue infection

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Mesoscale All-Atom Influenza Virus Simulations Suggest New Substrate Binding Mechanism

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Potential inhibitors of the interaction between ACE2 and SARS-CoV-2 (RBD), to develop a drug

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Chloro and bromo-pyrazole curcumin Knoevenagel condensates augmented anticancer activity against human cervical cancer cells: design, synthesis, in silico docking and in vitro cytotoxicity analysis

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Dynamics and binding interactions of peptide inhibitors of dengue virus entry

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Molecular docking revealed the binding of nucleotide/side inhibitors to Zika viral polymerase solved structures

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(2018) Xingquan Zhang   Acta Pharmaceutica Sinica B

A comparative study of the efficiency of HCV NS3/4A protease drugs against different HCV genotypes using in silico approaches

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Structure-based drug design of novel peptidomimetic cellulose derivatives as HCV-NS3 protease inhibitors

(2017) Noha A. Saleh et al.   LIFE SCIENCES

Molecular docking prediction and in vitro studies elucidate anti-cancer activity of phytoestrogens

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Virtual screening approach to identifying influenza virus neuraminidase inhibitors using molecular docking combined with machine-learning-based scoring function

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Molecular Docking Studies to Explore Potential Binding Pockets and Inhibitors for Chikungunya Virus Envelope Glycoproteins

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Molecular docking and structure-based virtual screening studies of potential drug target, CAAX prenyl proteases, ofLeishmania donovani

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(2016) Nicola Nosengo   NATURE

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(2016) Emmie de Wit et al.   NATURE REVIEWS MICROBIOLOGY

Treatment With Lopinavir/Ritonavir or Interferon-β1b Improves Outcome of MERS-CoV Infection in a Nonhuman Primate Model of Common Marmoset

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Screening of an FDA-Approved Compound Library Identifies Four Small-Molecule Inhibitors of Middle East Respiratory Syndrome Coronavirus Replication in Cell Culture

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