Chandrika Mulakala

Force computations in automated docking

Chandrika Mulakala, Chandrika Mulakala, 2005 .

Force calculations in automated docking: Enzyme–substrate interactions in Fusarium oxysporum Cel7B

Chandrika Mulakala, P. Reilly, Peter J Reilly, 2005, Proteins.

Development of a New Pharmacophore Model That Discriminates Active Compstatin Analogs

John D Lambris, Chandrika Mulakala, J. Lambris, 2008, Chemical biology & drug design.

Hypocrea jecorina (Trichoderma reesei) Cel7A as a molecular machine: A docking study

Chandrika Mulakala, P. Reilly, Peter J Reilly, 2005, Proteins.

Docking studies on glycoside hydrolase Family 47 endoplasmic reticulum alpha-(1-->2)-mannosidase I to elucidate the pathway to the substrate transition state.

Chandrika Mulakala, P. Reilly, W. Nerinckx, 2006, Carbohydrate research.

Could MM-GBSA be accurate enough for calculation of absolute protein/ligand binding free energies?

Vellarkad N Viswanadhan, Chandrika Mulakala, V. Viswanadhan, 2013, Journal of molecular graphics & modelling.

Applying conformational selection theory to improve crossdocking efficiency in 3‐phosphoinositide dependent protein kinase‐1

Vellarkad N Viswanadhan, Chandrika Mulakala, V. Viswanadhan, 2014, Proteins.

Path-integral method for predicting relative binding affinities of protein-ligand complexes.

Yiannis N Kaznessis, Chandrika Mulakala, Y. Kaznessis, 2009, Journal of the American Chemical Society.