K. G. Ayappa

Indian Institute of Science Bangalore — India

Biochemistry, Genetics and Molecular Biology · Life Sciences

38h-index4.3kcitations159works4.42yr avg
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Research Topics

Lipid Membrane Structure and Behavior(47), Nanopore and Nanochannel Transport Studies(34), Phase Equilibria and Thermodynamics(23), Spectroscopy and Quantum Chemical Studies(21), Material Dynamics and Properties(17)

Publications159 total

Perturbing Å-Scale Interfacial Clusters in Functionalized Nanoporous Graphene for Selective Evaporative Methanol–Water Separations
Langmuir·2025
Gated CO2 permeation across dynamic graphene pores
Nature Communications·2025· 3 citedOpen Access
Oxysterols Outcompete Cholesterol Binding to the Membrane-Inserted Cytolysin A Pore Complex
The Journal of Membrane Biology·2025· 1 cited
Oxysterols Modulate Protein–Sterol Interactions to Impair CXCR4 Signaling in Aging Cells
Biochemistry·2025· 1 cited
Gated CO2 permeation across dynamic graphene pores
2025· 1 citedOpen Access
Oxysterol accumulation in aging cells alters GPCR signalling
2024Open Access
Structure of the Bacterial Cell Envelope and Interactions with Antimicrobials: Insights from Molecular Dynamics Simulations
Langmuir·2024· 25 cited
Trajectory-Extending Kinetic Monte Carlo Simulations to Evaluate Pure and Gas Mixture Diffusivities through a Dense Polymeric Membrane
The Journal of Physical Chemistry B·2023· 9 citedOpen Access
Trajectory Extending Kinetic Monte Carlo Simulations to Evaluate Pure and Gas Mixture Diffusivities through a Dense Polymeric Membrane
arXiv (Cornell University)·2023Open Access
Selective Photonic Gasification of Strained Oxygen Clusters on Graphene for Tuning Pore Size in the Å Regime
JACS Au·2023· 12 citedOpen Access
Cholesterol catalyzes unfolding in membrane-inserted motifs of the pore forming protein cytolysin A
Biophysical Journal·2023· 5 citedOpen Access
Martini-3 Coarse-Grained Models for the Bacterial Lipopolysaccharide Outer Membrane of <i>Escherichia coli</i>
Journal of Chemical Theory and Computation·2023· 23 cited
Graphene Nanopores Enhance Water Evaporation from Salt Solutions: Exploring the Effects of Ions and Concentration
Langmuir·2023· 6 cited
Cholesterol catalyzes unfolding in membrane inserted motifs of the pore forming protein cytolysin A
2023Open Access
Modulated protein-sterol interactions drive oxysterol-induced impaired CXCR4 signalling
2023Open Access
Conformational Flexibility Is a Key Determinant for the Lytic Activity of the Pore-Forming Protein, Cytolysin A
The Journal of Physical Chemistry B·2022· 9 citedOpen Access
Interactions of Surfactants with the Bacterial Cell Wall and Inner Membrane: Revealing the Link between Aggregation and Antimicrobial Activity
Langmuir·2022· 45 cited
Differentiating interactions of antimicrobials with Gram-negative and Gram-positive bacterial cell walls using molecular dynamics simulations
Biointerphases·2022· 24 cited
Influence of chain length on structural properties of carbon molecular sieving membranes and their effects on CO<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" altimg="si126.svg" display="inline" id="d1e1075"><mml:msub><mml:mrow/><mml:mrow><mml:mn>2</mml:mn></mml:mrow></mml:msub></mml:math>, CH<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" altimg="si125.svg" display="inline" id="d1e1083"><mml:msub><mml:mrow/><mml:mrow><mml:mn>4</mml:mn></mml:mrow></mml:msub></mml:math> and N<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" altimg="si126.svg" display="inline" id="d1e1091"><mml:msub><mml:mrow/><mml:mrow><mml:mn>2</mml:mn></mml:mrow></mml:msub></mml:math> adsorption: A molecular simulation study
Journal of Membrane Science·2022· 13 cited
Enhanced Water Evaporation from Å-Scale Graphene Nanopores
ACS Nano·2022· 39 citedOpen Access
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Frequent Co-authors

H. T. Davis(10), E. A. Davis(8), J. Gordon(6), Prabal K. Maiti(6), Tanmay Basak(5), J. K. Basu(5), Ateeque Malani(4), Sheryl A. Barringer(4), Sudeep N. Punnathanam(3), Pradyumn Sharma(3), Subbarao Kanchi(3), Brandon C. Wood(2), Shreyas Y. Bhide(2), Debosruti Dutta(2), Vinay S. Kandagal(2), Amar Deep Pathak(2), Shobhana Narasimhan(2), Ananya Debnath(2), Sohail Murad(2), Sandhya S. Visweswariah(2)