Software

ArcVes – Tailor-made vesicles and liposomes

This software is aim to generate liposomes in different size and exact mixtures at any ration and composition. It is also useful to construct protein embedded liposomes. Please click HERE to the download page.

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Replica Exchange Molecular Dynamics (REMD) Simulation File Processor [REMD-FP]

This package is useful to handle large number of files needed during REMD simulation. Please click HERE to download the package. Follow the README file for requirement, installation and how to use it. This is a linux version, future release for other operating systems will be updated here.

Selected Publication

• • Interaction of antivirals with a heptameric bundle model of the p7 protein of hepatitis C virus.
    S. Dahl, M. M. Kalita, W. B. Fischer; Chem. Biol. Drug Des. (2018) 91, 942-950
     
    
  • Specification of binding modes between a transmembrane peptide mimic of ATP6V0C and polytopic E5 of human papillomavirus-16.
    D. R. Mahato, W. B. Fischer; J. Biomol. Struc. Dyn. (2017) 36, 2618-2627
     
  • Membrane protein assembly: two cytoplasmic phosphorylated serine sites of Vpu from HIV-1 affect oligomerization.
    C.-P. Chen, M.-H. Lin, Y.-T. Chan, L.-C. Chen, C. Ma, W. B. Fischer;  Sci. Rep. (2016) 6, 28866.
     
  • Small molecule ligand docking to genotype specific bundle structures of hepatitis C virus (HCV) p7 protein.
    N. Laasch, M. M. Kalita, S. Griffin, W. B. Fischer; Comput. Biol. Chem. (2016) 64, 56-63.
     
  • Asymmetric dynamics of ion channel forming proteins – Hepatitis C virus (HCV) p7 bundles.
    M. M. Kalita, W. B. Fischer; Biochim. Biophys. Acta (2016) 1858, 1462–1470.
     
  • Patch formation of a viral channel forming protein within a lipid membrane – Vpu of HIV-1.
    M.-H. Lin, C.-P. Chen, W. B. Fischer; Mol. Biosyst. (2016) 12, 1118 – 1127.
     
  • Genotype-specific differences in structural features of hepatitis C virus (HCV) p7 membrane protein.
    M. M. Kalita, S. Griffin, J. J. Chou, W. B. Fischer; Biochim. Biophys. Acta (2015) 1848, 1383-1392.
     
  • Docking assay of small molecule antivirals to p7 of HCV.
    L. Bichmann, Y.-T. Wang, W. B. Fischer; Comput. Biol. Chem. (2014) 53, 308-317.
     
  • Correlation of biological activity with computationally derived structural features from transmembrane hetero-dimers of HIV-1 Vpu with host factors.
    L.-H. Li, W. B. Fischer; Biochim. Biophys. Acta (2014) 1838, 1104-1121.
     
  • Computational modeling of the p7 monomer from HCV and its interaction with small molecule drugs.
    Y.-T. Wang, H.-J. Hsu, W. B. Fischer; Springer Plus (2013) 2, 324.
     
  • In silico investigations of possible routes of assembly of ORF 3a from SARS-CoV.
    H.-J. Hsu, W. B. Fischer; J. Mol. Mod. (2012) 18, 501-514.
     
  • Assembly of viral membrane proteins.
    J. Krüger, W. B. Fischer; J. Chem. Theory Comput. (2009) 5, 2503-2513.