Efficient evaluation of sampling quality of molecular dynamics simulations by clustering of dihedral torsion angles and Sammon mapping. - Stephan Frickenhaus; Srinivasaraghavan Kannan; Martin Zacharias (J. Comput. Chem., 2009)

Applications of advanced sampling methods for enhanced conformational sampling of biomolecules - Srinivasaraghavan Kannan (2009)

Application of biasing-potential replica exchange simulations for loop modeling and refinement of proteins in explicit solvent. - Srinivasaraghavan Kannan; Wolfgang Sippl; Martin Zacharias (J. Cheminformatics, 2011)

Discovery of Inhibitors of Schistosoma mansoni HDAC8 by Combining Homology Modeling, Virtual Screening, and in Vitro Validation. - Srinivasaraghavan Kannan; Jelena Melesina; Alexander-Thomas Hauser; Alokta Chakrabarti; Tino Heimburg; Karin Schmidtkunz; Alexandra Walter; Martin Marek; Raymond J. Pierce; Christophe Romier; Manfred Jung; Wolfgang Sippl (J. Chem. Inf. Model., 2014)

Exploring Gatekeeper Mutations in EGFR through Computer Simulations. - Srinivasaraghavan Kannan; Stephen J. Fox; Chandra S. Verma 001 (J. Chem. Inf. Model., 2019)

Effects of Single Nucleotide Polymorphisms on the Binding of Afatinib to EGFR: A Potential Patient Stratification Factor Revealed by Modeling Studies. - Srinivasaraghavan Kannan; Daniel Shao-Weng Tan; Chandra Shekhar Verma 001 (J. Chem. Inf. Model., 2019)

Characterization of Hydration Properties in Structural Ensembles of Biomolecules. - Mohan R. Pradhan; Minh N. Nguyen; Srinivasaraghavan Kannan; Stephen J. Fox; Chee Keong Kwoh 001; David P. Lane; Chandra S. Verma 001 (J. Chem. Inf. Model., 2019)