Chaitanya A. K. Koppisetty

According to our database, Chaitanya A. K. Koppisetty authored at least 4 papers between 2010 and 2015.

Collaborative distances:

• Dijkstra number of five.
• Erdős number of four.

2015

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

Chaitanya A. K. Koppisetty, Martin Frank, Alexander Lyubartsev, Per-Georg Nyholm

J. Comput. Aided Mol. Des., 2015

2013

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

Chaitanya A. K. Koppisetty, Martin Frank, Graham J. L. Kemp, Per-Georg Nyholm

J. Chem. Inf. Model., 2013

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.

Francesco Strino, Jenn-Huei Lii, Chaitanya A. K. Koppisetty, Per-Georg Nyholm, Hans-Joachim Gabius

J. Comput. Aided Mol. Des., 2010

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

Chaitanya A. K. Koppisetty, Waqas Nasir, Francesco Strino, Gustaf E. Rydell, Göran Larson, Per-Georg Nyholm

J. Comput. Aided Mol. Des., 2010