Items where Author is "Ayappa, K. G."

Article

Kanchi, Subbarao ; Gosika, Mounika ; Ayappa, K. G. ; Maiti, Prabal K. (2018) Dendrimer Interactions with Lipid Bilayer: Comparison of Force Field and Effect of Implicit vs Explicit Solvation Journal of Chemical Theory and Computation, 14 (7). pp. 3825-3839. ISSN 1549-9618

Sarangi, Nirod Kumar ; Ayappa, K. G. ; Basu, Jaydeep Kumar (2017) Complex dynamics at the nanoscale in simple biomembranes Scientific Reports, 7 (1). ISSN 2045-2322

Sarangi, Nirod Kumar ; Ayappa, K. G. ; Visweswariah, Sandhya. S. ; Basu, Jaydeep Kumar (2016) Nanoscale dynamics of phospholipids reveals an optimal assembly mechanism of pore-forming proteins in bilayer membranes Physical Chemistry Chemical Physics, 18 (43). pp. 29935-29945. ISSN 1463-9076

Sarangi, Nirod Kumar ; P, Ilanila I. ; Ayappa, K. G. ; Visweswariah, Sandhya. S. ; Basu, Jaydeep Kumar (2016) Super-resolution Stimulated Emission Depletion-Fluorescence Correlation Spectroscopy Reveals Nanoscale Membrane Reorganization Induced by Pore-Forming Proteins Langmuir, 32 (37). pp. 9649-9657. ISSN 0743-7463

Mandal, Taraknath ; Kanchi, Subbarao ; Ayappa, K. G. ; Maiti, Prabal K. (2016) pH controlled gating of toxic protein pores by dendrimers Nanoscale, 8 (26). pp. 13045-13058. ISSN 2040-3364

Majhi, Amit Kumar ; Kanchi, Subbarao ; Venkataraman, V. ; Ayappa, K. G. ; Maiti, Prabal K. (2015) Estimation of activation energy for electroporation and pore growth rate in liquid crystalline and gel phases of lipid bilayers using molecular dynamics simulations Soft Matter, 11 (44). pp. 8632-8640. ISSN 1744-683X

Debnath, Ananya ; Thakkar, Foram M. ; Maiti, Prabal K. ; Kumarana, V. ; Ayappa, K. G. (2015) Laterally structured ripple and square phases with one and two dimensional thickness modulations in a model bilayer system Soft Matter, 10 (38). pp. 7630-7637. ISSN 1744-683X

Kanchi, Subbarao ; Suresh, Gorle ; Priyakumar, U. Deva ; Ayappa, K. G. ; Maiti, Prabal K. (2015) Molecular dynamics study of the structure, flexibility, and hydrophilicity of PETIM dendrimers: A comparison with PAMAM dendrimers Journal of Physical Chemistry B, 119 (41). pp. 12990-13001. ISSN 1520-6106

Vaidyanathan, M. S. ; Sathyanarayana, Pradeep ; Maiti, Prabal K. ; Visweswariah, Sandhya S. ; Ayappa, K. G. (2014) Lysis dynamics and membrane oligomerization pathways for Cytolysin A (ClyA) pore-forming toxin RSC Advances, 4 (10). pp. 4930-4942. ISSN 2046-2069

Bhattacharya, R. ; Kanchi, Subbarao ; C., Roobala ; Lakshminarayanan, A. ; Seeck, Oliver H. ; Maiti, Prabal K. ; Ayappa, K. G. ; Jayaraman, N. ; Basu, J. K. (2014) A new microscopic insight into membrane penetration and reorganization by PETIM dendrimers Soft Matter, 10 (38). pp. 7577-7587. ISSN 1744-683X

Bhattacharya, R. ; Kanchi, Subbarao ; Roobala, C. ; Lakshminarayanan, A. ; Seeck, Oliver H. ; Maiti, Prabal K. ; Ayappa, K. G. ; Jayaraman, N. ; Basu, J. K. (2014) A new microscopic insight into membrane penetration and reorganization by PETIM dendrimers Soft Matter, 10 (38). pp. 7577-7587. ISSN 1744-683X

Debnath, Ananya ; Ayappa, K. G. ; Maiti, Prabal K. (2013) Simulation of influence of Bilayer melting on dynamics and thermodynamics of interfacial water Physical Review Letters, 110 (1). Article ID 018303. ISSN 0031-9007

Wood, Brandon C. ; Bhide, Shreyas Y. ; Dutta, Debosruti ; Kandagal, Vinay S. ; Pathak, Amar Deep ; Punnathanam, Sudeep N. ; Ayappa, K. G. ; Narasimhan, Shobhana (2012) Methane and carbon dioxide adsorption on edge-functionalized graphene: A comparative DFT study Journal of Chemical Physics, 137 (5). 054702. ISSN 0021-9606

Thakkar, Foram M. ; Maiti, Prabal K. ; Kumaran, V. ; Ayappa, K. G. (2011) Verifying scalings for bending rigidity of bilayer membranes using mesoscale models Soft Matter, 7 (8). pp. 3963-3966. ISSN 1744-683X

Debnath, Ananya ; Mukherjee, Biswaroop ; Ayappa, K. G. ; Maiti, Prabal K. ; Lin, Shiang-Tai (2010) Entropy and dynamics of water in hydration layers of a bilayer The Journal of Chemical Physics, 133 (17). Article ID 174704. ISSN 0021-9606

Maiti, Prabal K. ; Arun Kumar, V. ; Ayappa, K. G. (2009) Computer simulation of liquid crystals Journal of the Indian Institute of Science, 89 (2). pp. 229-241. ISSN 0970-4140

Debnath, Ananya ; Ayappa, K. G. ; Kumaran, V. ; Maiti, Prabal K. (2009) The influence of bilayer composition on the gel to liquid crystalline transition Journal of Physical Chemistry B, 113 (31). pp. 10660-10668. ISSN 1520-6106

Gopala Rao, Palla Venkata ; Gandhi, K. S. ; Ayappa, K. G. (2007) Enhancing the hydrophobic effect in confined water nanodrops Langmuir, 23 (26). pp. 12795-127982007. ISSN 0743-7463

Kamala, C. R. ; Ayappa, K. G. ; Yashonath, S. (2005) Large distinct diffusivity in binary mixtures confined to zeolite NaY Journal of Physical Chemistry B, 109 (47). pp. 22092-22095. ISSN 1520-6106

Prathima, N. ; Harini, M. ; Rai, Neeraj ; Chandrashekara, R. H. ; Ayappa, K. G. ; Sampath, S. ; Biswas, S. K. (2005) Thermal study of accumulation of conformational disorders in the self-assembled monolayers of C₈ and C₁₈ alkanethiols on the Au(111) surface Langmuir, 21 (6). pp. 2364-2374. ISSN 0743-7463

Pal, Sandeep ; Vishal, G. ; Gandhi, K. S. ; Ayappa, K. G. (2005) Ion exchange in reverse micelles Langmuir, 21 (2). pp. 767-778. ISSN 0743-7463

Kamala, C. R. ; Ayappa, K. G. ; Yashonath, S. (2004) Distinct Diffusion in Binary Mixtures Confined in Slit Graphite Pores Journal of Physical Chemistry B, 108 (14). pp. 4411-4421. ISSN 1520-6106

Kamala, C. R. ; Ayappa, K. G. ; Yashonath, S. (2002) Mutual diffusion in a binary Ar-Kr mixture confined within zeolite NaY Physical Review E - Statistical, Nonlinear and Soft Matter Physics, 65 (6). pp. 061202 _1-061202 _12. ISSN 1539-3755

Book Section

Pramanik, Debabrata ; Kanchi, Subbarao ; Ayappa, K. G. ; Maiti, Prabal K. (2021) Dendrimers: A Novel Nanomaterial In: Computational Materials, Chemistry, and Biochemistry: From Bold Initiatives to the Last Mile. Springer-Verlag, pp. 411-449.

Conference or Workshop Item

Ayappa, K. G. ; Desikan, R. ; Behera, A. ; Maiti, P. K. (2018) Using Molecular Dynamics Simulations to Assess the Structure and Stability of Transmembrane Oligomeric Intermediates of Pore Forming Proteins In: AIChE Annual Meeting, October 31, 2018.