Chaitanya A. K. Koppisetty

Publication Activity (10 Years)

Years Active: 2010-2015
Publications (10 Years): 1

Top Topics

Molecular Dynamics

Protein Protein

Transcription Factor Binding Sites

Top Venues

J. Chem. Inf. Model.

J. Comput. Aided Mol. Des.

Publications

Chaitanya A. K. Koppisetty, Martin Frank, Alexander Lyubartsev, Per-Georg Nyholm
Binding energy calculations for hevein-carbohydrate interactions using expanded ensemble molecular dynamics simulations. J. Comput. Aided Mol. Des. 29 (1) (2015)
Chaitanya A. K. Koppisetty, Martin Frank, Graham J. L. Kemp, Per-Georg Nyholm
Computation of Binding Energies Including Their Enthalpy and Entropy Components for Protein-Ligand Complexes Using Support Vector Machines. J. Chem. Inf. Model. 53 (10) (2013)
Chaitanya A. K. Koppisetty, Waqas Nasir, Francesco Strino, Gustaf E. Rydell, Göran Larson, Per-Georg Nyholm
Computational studies on the interaction of ABO-active saccharides with the norovirus VA387 capsid protein can explain experimental binding data. J. Comput. Aided Mol. Des. 24 (5) (2010)
Francesco Strino, Jenn-Huei Lii, Chaitanya A. K. Koppisetty, Per-Georg Nyholm, Hans-Joachim Gabius
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. J. Comput. Aided Mol. Des. 24 (12) (2010)