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- Publications
- Influence
Blind prediction exercise on modeling of PHWR fuel at extended burnup
- D. N. Sah, U. Viswanathan, C. Viswanadham, K. Unnikrishnan, B. N. Rath
- Environmental Science
- 15 December 2008
Abstract A blind prediction exercise was organised on Indian Pressurised Heavy Water Reactor (PHWR) fuel to investigate the predictive capability of existing codes for their application at extended… Expand
Identification of a Novel Inhibitor of Dengue Virus Protease through Use of a Virtual Screening Drug Discovery Web Portal
- U. Viswanathan, S. Tomlinson, J. Fonner, Stephen A. Mock, S. Watowich
- Computer Science, Medicine
- J. Chem. Inf. Model.
- 10 October 2014
TLDR
Discovery and Mechanistic Study of a Novel Human-Stimulator-of-Interferon-Genes Agonist.
Stimulator of interferon genes (STING) is an integral ER-membrane protein that can be activated by 2'3'-cGAMP synthesized by cyclic guanosine monophosphate-adenosine monophosphate synthase (cGAS)… Expand
Vibrational predissociation spectroscopy and theory of Ar-tagged, protonated Imidazole (Im) Im1–3H+·Ar clusters
- H. K. Gerardi, George H. Gardenier, U. Viswanathan, S. Auerbach, M. Johnson
- Chemistry
- 7 January 2011
Abstract We report vibrational predissociation spectra and theoretical analysis of the Ar-tagged cluster ions of imidazole, Im 1–3 H + ·Ar. The frequencies of the external N–H stretches are observed… Expand
Modeling energy landscapes of proton motion in nonaqueous, tethered proton wires.
- U. Viswanathan, D. Basak, D. Venkataraman, J. Fermann, S. Auerbach
- Chemistry, Medicine
- The journal of physical chemistry. A
- 9 May 2011
We have modeled structures and energetics of anhydrous proton-conducting wires: tethered hydrogen-bonded chains of the form ···HX···HX···HX···, with functional groups HX = imidazole, triazole, and… Expand
CpAMs induce assembly of HBV capsids with altered electrophoresis mobility: Implications for mechanism of inhibiting pgRNA packaging
&NA; Native agarose gel electrophoresis‐based particle gel assay has been commonly used for examination of hepatitis B virus (HBV) capsid assembly and pregenomic RNA encapsidation in HBV replicating… Expand
Modeling nonaqueous proton wires built from helical peptides: biased proton transfer driven by helical dipoles.
- G. E. López, Inara Colón-Díaz, +5 authors S. Auerbach
- Chemistry, Medicine
- The journal of physical chemistry. A
- 20 January 2012
We report gas-phase electronic structure calculations on helical peptides that act as scaffolds for imidazole-based hydrogen-bonding networks (proton wires). We have modeled various 21-residue… Expand
Modeling Proton Jumps in HY Zeolite: Effects of Acid Site Heterogeneity
- U. Viswanathan, J. Fermann, L. Toy, S. Auerbach, T. Vreven, M. Frisch
- Chemistry
- 17 November 2007
We have computed the total mean rate coefficient for proton transfer in bare H-Y zeolite, for comparison with NMR experiments and previous calculations. We computed proton-transfer energies using… Expand
Importance of dynamic hydrogen bonds and reorientation barriers in proton transport.
- Chikkannagari Nagamani, U. Viswanathan, C. Versek, M. Tuominen, S. Auerbach, S. Thayumanavan
- Chemistry, Medicine
- Chemical communications
- 31 May 2011
The dynamic nature of hydrogen bonds in phenolic polymers, where the hydrogen bond donor/acceptor reorientation can occur in a single site, presents lower barriers for proton transport.
Measurement of fission gas release, internal pressure and cladding creep rate in the fuel pins of PHWR bundle of normal discharge burnup
- U. Viswanathan, D. N. Sah, B. Rath, S. Anantharaman
- Chemistry
- 1 August 2009
Abstract Fuel pins of a Pressurised Heavy Water Reactor (PHWR) fuel bundle discharged from Narora Atomic Power Station unit #1 after attaining a fuel burnup of 7528 MWd/tU have been subjected to two… Expand