Welcome to the Computational Chemistry and Biochemistry (CCBG) Group at IISc
Welcome to the Computational Chemistry and Biochemistry (CCBG) Group at IISc
We are a group of enthusiastic members working at the interface of chemistry and biology. We use different methods such as quantum chemical, molecular dynamics and QM/MM. We are also interested in applying machine learning to address some challenging problems in small molecules and enzyme catalysis. Our current research interests lie in understanding the carbene insertion into C-H and X-H (X=O, C(sp2), S, N) bonds catalyzed by Rh, Ir, Pd, Fe, Cu and metalloenzymes.
We are a group of enthusiastic members working at the interface of chemistry and biology. We use different methods such as quantum chemical, molecular dynamics and QM/MM. We are also interested in applying machine learning to address some challenging problems in small molecules and enzyme catalysis. Our current research interests lie in understanding the carbene insertion into C-H and X-H (X=O, C(sp2), S, N) bonds catalyzed by Rh, Ir, Pd, Fe, Cu and metalloenzymes.