Ashok Krishna Chaitanya Koppisetty

Showing 9 publications

2019

DRIVEN: a Framework for Efficient Data Retrieval and Clustering in Vehicular Networks

Bastian Havers, Romaric Duvignau, Hannaneh Najdataei et al
Proceedings of the 2019 IEEE 35th International Conference on Data Engineering (ICDE), p. 1850-1861
Paper in proceeding
2015

Binding energy calculations for hevein-carbohydrate interactions using expanded ensemble molecular dynamics simulations

Ashok Krishna Chaitanya Koppisetty, M. Frank, A. P. Lyubartsev et al
Journal of Computer-Aided Molecular Design. Vol. 29 (1), p. 13-21
Journal article
2014

Application and Development of Computational Methods for Structure-based Drug Discovery

Ashok Krishna Chaitanya Koppisetty
Doctoral thesis
2013

Computation of Binding Energies Including Their Enthalpy and Entropy Components for Protein-Ligand Complexes Using Support Vector Machines

Ashok Krishna Chaitanya Koppisetty, M. Frank, Graham Kemp et al
Journal of Chemical Information and Computer Sciences. Vol. 53 (10), p. 2559-2570
Journal article
2012

Lewis histo-blood group alpha1,3/alpha1,4 fucose residues may both mediate binding to GII.4 noroviruses

Waqas Nasir, M. Frank, Ashok Krishna Chaitanya Koppisetty et al
Glycobiology. Vol. 22 (9), p. 1163-72
Journal article
2012

Sperm arylsulfatase A binds to mZP2 and mZP3 glycoproteins in a nonenzymatic manner

H. Xu, F. Liu, N. Srakaew et al
Reproduction. Vol. 144 (2), p. 209-19
Journal article
2010

Computational studies on the interaction of ABO-active saccharides with the norovirus VA387 capsid protein can explain experimental binding data

Ashok Krishna Chaitanya Koppisetty, Waqas Nasir, F. Strino et al
Journal of Computer-Aided Molecular Design. Vol. 24 (5), p. 423-431
Journal article
2010

Selenoglycosides in silico: ab initio-derived reparameterization of MM4, conformational analysis using histo-blood group ABH antigens and lectin docking as indication for potential of bioactivity

F. Strino, J. H. Lii, Ashok Krishna Chaitanya Koppisetty et al
Journal of Computer-Aided Molecular Design. Vol. 24 (12), p. 1009-1021
Journal article

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