Satyavani Vemparala
Email : vani [AT] imsc.res.in

RESEARCH INTERESTS
Small molecule interactions with lipids
Force Field Development
Influenza-M2 channel
Ion channels
Biomimetic antimicrobial peptides
Self Assembled monolayers

PUBLICATIONS

  • "Ensemble equivalence for counterion condensation on a two dimensional charged disc" Anoop Varghese, Satyavani Vemparala, R. Rajesh arXiv:1110.3635 (2011).

  • "Transient state fluctuation like relations for the driving force on a biomolecule" M. Ponmurugan, Satyavani Vemparala Physical Review E (Rapid Communications) 84,060101 (2011).

  • "Phase transitions of a single polyelectrolyte in a poor solvent with explicit counterions,"Anoop Varghese, Satyavani Vemparala, R. Rajesh. Journal of Chemical Physics 135 ,154902 (2011).

  • "Role of loop dynamics in thermal stability of mesophilic and thermophilic adenylosuccinate synthetase: A molecular dynamics and normal mode analysis study,"Satyavani Vemparala,Sonali Mehrotra, Hemalatha Balaram. Biochimica et Biophysica Acta (BBA) - Proteins & Proteomics 1814 ,630 (2011).

  • "Long Distance Correlations in Molecular Orientations of Liquid Water and Shape Dependant Hydrophobic Force,"J. M. Pradeep Kanth , Satyavani Vemparala,Ramesh Anishetty. Physical Review E 81 ,021201 (2010).

  • "Computational studies on the interactions of inhalational anesthetics with proteins" (Review Article) Satyavani Vemparala, Carmen Domene, Michael L, Klein. Accounts of Chemical Research 43 , 103-110(2010).

  • "Molecular dynamics calculations suggest a conduction mechanism for the M2 proton channel from influenza A virus," Ekta Khurana, Matteo Dal Peraro, Russell DeVane, Satyavani Vemparala, William F. DeGrado, Michael L, Klein. Proceedings of National Academy of Sciences(PNAS) 106 ,1069-1074 (2009).

  • "Synthetic mimics of antimicrobial peptides,"(Review Article) Abhigyan Som, Satyavani Vemparala, Ivaylo Ivanov, Gregory N. Tew, Biopolymers (Peptide Science) 90, 83-93 (2008).

  • "Interaction of anesthetics with open and closed conformations of a potassium channel studied via molecular dynamics and normal mode analysis," Satyavani Vemparala, Carmen Domene, and Michael L. Klein, Biophys J., 94, 4260-4269, (2008).

  • "The role of conformation in ion permeation in a K+ channel,"Carmen Domene, Satyavani Vemparala , Simone Furini, Kim Sharp, Michael L. Klein,J. Am. Chem. Soc. 130, 3389-3398 (2008).

  • "Partitioning of Anesthetics into a Lipid Bilayer and their Interaction with Membrane-bound Peptide Bundles," Satyavani Vemparala, Leonor Saiz, Roderic G. Eckenhoff, and Michael L. Klein, Biophys J. 91, 2815-2825 (2006).

  • "Role of Aromatic Localisation in the Gating Process of a Potassium Channel," Carmen Domene, Satyavani Vemparala, Michael L. Klein, Catherine Venien-Bryan, and Declan A. Doyle, Biophys. J. 90, L01-L03 (2006).

  • "Ab Initio Calculations of Intramolecular Parameters for a Class of Arylamide Polymers," Satyavani Vemparala, Ivaylo Ivanov, Vojislava Pophristic, Katrin Spiegel, and Michael L. Klein, J. Comput. Chem. 27, 693-700 (2006).

  • "Controlling the Shape and Flexibility of Arylamides: A Combined Ab Initio, Ab Initio Molecular Dynamics and Classical Molecular Dynamics Study," Vojislava Pophristic, Satyavani Vemparala, Ivaylo Ivanov, Zhiwei Liu, Michael L. Klein, and William F. DeGrado, J. Phys. Chem. B 110, 3517-3526 (2006).

  • "Characterization of Nonbiological Antimicrobial Polymers in Aqueous Solution and at Water-Lipid Interfaces f rom All-Atom Molecular Dynamics," Ivaylo Ivanov, Satyavani Vemparala, Vojislava Pophristic, Kenichi Kuroda, William F. DeGrado, J. Andrew McCammon , and Michael L. Klein, J. Am. Chem. Soc. 128, 1778-1779 (2006).

  • "The Design and Evaluation of Heparin-Binding Foldamers," Sungwook Choi, Dylan J. Clements, Vojislava Pophristic, Ivaylo Ivanov, Satyavani Vemparala, Joel S. Bennett, Michael L. Klein, Jeffrey D. Winkler, and William F. DeGrado, Angew. Chemie Int. Ed. 44, 6599 (2005).

  • "Large Scale Molecular Dynamics Simulations of Alkane-thiol Self-Assembled Monolayers," Satyavani Vemparala, Bijaya B. Karki, Rajiv K. Kalia, Aiichiro Nakano, Priya Vashishita, J. Chem. Phys. 121, 4323( 2004).

  • "Electric field induced switching of poly(ethylene glycol) terminated self-assembled monolayers: A parallel molecular dynamics simulation," Satyavani Vemparala, Rajiv K. Kalia, Aiichiro Nakano, Priya Vashishita, J. Chem. Phys. 121, 5427 (2004).

  • "Scalable and Portable Implementation of the Fast Multipole Method on Parallel Computers," S. Ogata, T. Campbell, R.K. Kalia, A. Nakano, P. Vashishta, Satyavani Vemparala J. Comp. Comm. 153, 445 (2003).




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