K Ganapathy Ayappa (K G Ayappa)

Publication Activity (10 Years)

Years Active: 2017-2024
Publications (10 Years): 34

Top Topics

Escherichia Coli

Multidrug Resistant

Molecular Dynamics

Top Venues

The journal of physical chemistry. B

Langmuir : the ACS journal of surfaces and colloids

This page only lists publications with an associated author ORCID identifier.

Publications

Pradyumn Sharma, Rakesh Vaiwala, Amar Krishna Gopinath, Rajalakshmi Chockalingam, K Ganapathy Ayappa
Structure of the Bacterial Cell Envelope and Interactions with Antimicrobials: Insights from Molecular Dynamics Simulations. Langmuir : the ACS journal of surfaces and colloids 40 (15) (2024)
Pradyumn Sharma, Rakesh Vaiwala, Amar Krishna Gopinath, Rajalakshmi Chockalingam, K Ganapathy Ayappa
Structure of the Bacterial Cell Envelope and Interactions with Antimicrobials: Insights from Molecular Dynamics Simulations. Langmuir : the ACS journal of surfaces and colloids (2024)
Pradyumn Sharma, Rakesh Vaiwala, Amar Krishna Gopinath, Rajalakshmi Chockalingam, K Ganapathy Ayappa
Structure of the Bacterial Cell Envelope and Interactions with Antimicrobials: Insights from Molecular Dynamics Simulations. Langmuir : the ACS journal of surfaces and colloids 40 (15) (2024)
Pradyumn Sharma, Rakesh Vaiwala, Amar Krishna Gopinath, Rajalakshmi Chockalingam, K Ganapathy Ayappa
Structure of the Bacterial Cell Envelope and Interactions with Antimicrobials: Insights from Molecular Dynamics Simulations. Langmuir : the ACS journal of surfaces and colloids 40 (15) (2024)
Subhadeep Dasgupta, Arun K S, K Ganapathy Ayappa, Prabal Kumar Maiti
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)
Rakesh Vaiwala, K Ganapathy Ayappa
Martini-3 Coarse-Grained Models for the Bacterial Lipopolysaccharide Outer Membrane of Escherichia coli . Journal of chemical theory and computation (2023)
Anshaj Ronghe, K Ganapathy Ayappa
Graphene Nanopores Enhance Water Evaporation from Salt Solutions: Exploring the Effects of Ions and Concentration. Langmuir : the ACS journal of surfaces and colloids (2023)
Luc Bondaz, Anshaj Ronghe, Shaoxian Li, Kristia Ns Čerņevičs, Jian Hao, Oleg V Yazyev, K Ganapathy Ayappa, Kumar Varoon Agrawal
Selective Photonic Gasification of Strained Oxygen Clusters on Graphene for Tuning Pore Size in the Å Regime. JACS Au 3 (10) (2023)
Wan-Chi Lee, Anshaj Ronghe, Luis Francisco Villalobos, Shiqi Huang, Mostapha Dakhchoune, Mounir Mensi, Kuang-Jung Hsu, K Ganapathy Ayappa, Kumar Varoon Agrawal
Enhanced Water Evaporation from Å-Scale Graphene Nanopores. ACS nano 16 (9) (2022)
Samlesh Choudhury, Vaishnavi Ananthanarayanan, K Ganapathy Ayappa
Coupling of mitochondrial population evolution to microtubule dynamics in fission yeast cells: a kinetic Monte Carlo study. Soft matter 18 (23) (2022)
Avijeet Kulshrestha, Sudeep N Punnathanam, K Ganapathy Ayappa
Finite temperature string method with umbrella sampling using path collective variables: application to secondary structure change in a protein. Soft matter 18 (39) (2022)
Avijeet Kulshrestha, Satyaghosh Maurya, Twinkle Gupta, Rahul Roy, Sudeep N Punnathanam, K Ganapathy Ayappa
Conformational Flexibility Is a Key Determinant for the Lytic Activity of the Pore-Forming Protein, Cytolysin A. The journal of physical chemistry. B (2022)
Avijeet Kulshrestha, Satyaghosh Maurya, Twinkle Gupta, Rahul Roy, Sudeep N Punnathanam, K Ganapathy Ayappa
Conformational Flexibility Is a Key Determinant for the Lytic Activity of the Pore-Forming Protein, Cytolysin A. The journal of physical chemistry. B 127 (1) (2022)
Rajasekaran M, K Ganapathy Ayappa
Influence of the extent of hydrophobicity on water organization and dynamics on 2D graphene oxide surfaces. Physical chemistry chemical physics : PCCP 24 (24) (2022)
Avijeet Kulshrestha, Satyaghosh Maurya, Twinkle Gupta, Rahul Roy, Sudeep N Punnathanam, K Ganapathy Ayappa
Conformational Flexibility Is a Key Determinant for the Lytic Activity of the Pore-Forming Protein, Cytolysin A. The journal of physical chemistry. B 127 (1) (2022)
Rakesh Vaiwala, Pradyumn Sharma, K Ganapathy Ayappa
Differentiating interactions of antimicrobials with Gram-negative and Gram-positive bacterial cell walls using molecular dynamics simulations. Biointerphases 17 (6) (2022)
Rakesh Vaiwala, Pradyumn Sharma, K Ganapathy Ayappa
Differentiating interactions of antimicrobials with Gram-negative and Gram-positive bacterial cell walls using molecular dynamics simulations. Biointerphases 17 (6) (2022)
Pradyumn Sharma, K Ganapathy Ayappa
A Molecular Dynamics Study of Antimicrobial Peptide Interactions with the Lipopolysaccharides of the Outer Bacterial Membrane. The Journal of membrane biology 255 (6) (2022)
Avijeet Kulshrestha, Satyaghosh Maurya, Twinkle Gupta, Rahul Roy, Sudeep N Punnathanam, K Ganapathy Ayappa
Conformational Flexibility Is a Key Determinant for the Lytic Activity of the Pore-Forming Protein, Cytolysin A. The journal of physical chemistry. B 127 (1) (2022)
Pradyumn Sharma, Rakesh Vaiwala, Srividhya Parthasarathi, Nivedita Patil, Anant Verma, Morris Waskar, Janhavi S Raut, Jaydeep Kumar Basu, K Ganapathy Ayappa
Interactions of Surfactants with the Bacterial Cell Wall and Inner Membrane: Revealing the Link between Aggregation and Antimicrobial Activity. Langmuir : the ACS journal of surfaces and colloids (2022)
Rakesh Vaiwala, Pradyumn Sharma, K Ganapathy Ayappa
Differentiating interactions of antimicrobials with Gram-negative and Gram-positive bacterial cell walls using molecular dynamics simulations. Biointerphases 17 (6) (2022)
Goli Yamini, Subbarao Kanchi, Nnanya Kalu, Sanaz Momben Abolfath, Stephen H Leppla, K Ganapathy Ayappa, Prabal Kumar Maiti, Ekaterina M Nestorovich
Hydrophobic Gating and 1/f Noise of the Anthrax Toxin Channel. The journal of physical chemistry. B 125 (21) (2021)
Pradyumn Sharma, Rajat Desikan, K Ganapathy Ayappa
Evaluating Coarse-Grained MARTINI Force-Fields for Capturing the Ripple Phase of Lipid Membranes. The journal of physical chemistry. B 125 (24) (2021)
Rakesh Vaiwala, K Ganapathy Ayappa
A generic force field for simulating native protein structures using dissipative particle dynamics. Soft matter 17 (42) (2021)
Rakesh Vaiwala, Pradyumn Sharma, Mrinalini Puranik, K Ganapathy Ayappa
Developing a Coarse-Grained Model for Bacterial Cell Walls: Evaluating Mechanical Properties and Free Energy Barriers. Journal of chemical theory and computation 16 (8) (2020)
Pradeep Sathyanarayana, Sandhya S Visweswariah, K Ganapathy Ayappa
Mechanistic Insights into Pore Formation by an α-Pore Forming Toxin: Protein and Lipid Bilayer Interactions of Cytolysin A. Accounts of chemical research 54 (1) (2020)
Rajasekaran M, K Ganapathy Ayappa
Dynamical Transitions of Supercooled Water in Graphene Oxide Nanopores: Influence of Surface Hydrophilicity. The journal of physical chemistry. B 124 (23) (2020)
Ramesh Cheerla, K Ganapathy Ayappa
Molecular Dynamics Study of Lipid and Cholesterol Reorganization Due to Membrane Binding and Pore Formation by Listeriolysin O. The Journal of membrane biology 253 (6) (2020)
Rajat Desikan, Pranesh Padmanabhan, K Ganapathy Ayappa
Opening of smaller toxin pores by lipid micelle formation. Proceedings of the National Academy of Sciences of the United States of America 117 (10) (2020)
Pradyumn Sharma, Srividhya Parthasarathi, Nivedita Patil, Morris Waskar, Janhavi S Raut, Mrinalini Puranik, K Ganapathy Ayappa, Jaydeep Kumar Basu
Assessing Barriers for Antimicrobial Penetration in Complex Asymmetric Bacterial Membranes: A Case Study with Thymol. Langmuir : the ACS journal of surfaces and colloids 36 (30) (2020)
Rajasekaran M, K Ganapathy Ayappa
Enhancing the Dynamics of Water Confined between Graphene Oxide Surfaces with Janus Interfaces: A Molecular Dynamics Study. The journal of physical chemistry. B 123 (13) (2019)
Vadhana Varadarajan, Chandan Dasgupta, K Ganapathy Ayappa
Influence of surface commensurability on the structure and relaxation dynamics of a confined monatomic fluid. The Journal of chemical physics 149 (6) (2018)
Subbarao Kanchi, Mounika Gosika, K Ganapathy Ayappa, Prabal Kumar Maiti
Dendrimer Interactions with Lipid Bilayer: Comparison of Force Field and Effect of Implicit vs Explicit Solvation. Journal of chemical theory and computation 14 (7) (2018)
Rajat Desikan, Prabal Kumar Maiti, K Ganapathy Ayappa
Assessing the Structure and Stability of Transmembrane Oligomeric Intermediates of an α-Helical Toxin. Langmuir : the ACS journal of surfaces and colloids 33 (42) (2017)