Prof. M.S. Samantha Weerasinghe
Department of Chemistry
Publications
Identification of lead compounds from Sri Lankan flora to treat prion and Huntington’s diseases: A molecular mechanics approach
Shalini Thiruchittampalam, Samantha Weerasinghe, Identification of lead compounds from Sri Lankan flora to treat prion and Huntington’s diseases: A molecular mechanics approach, Annual research symposium of University of Colombo, Sri Lanka, University of Colombo, October 11-22, 2016.
A computational study for the Identification of lead compounds from Sri Lankan flora to treat selected neurodegenerative diseases
Shalini Thiruchittampalam, Samantha Weerasinghe, A computational study for the Identification of lead compounds from Sri Lankan flora to treat selected neurodegenerative diseases, 72nd annual sessions of Sri Lanka Association for the advancement of science (SLAAS), Sri Lanka, University of Colombo, December 05-09, 2016
“An In Silico Approach of Coumarin-Derived Inhibitors for Human DNA Topoisomerase I”
“An In Silico Approach of Coumarin-Derived Inhibitors for Human DNA Topoisomerase I”, Amali G. Guruge, Chandani Udawatte, and Samantha Weerasinghe, Aust. J. Chem. 69, 1005–1015 (2016)
“Stability of murexide-metal ion complexes in aqueous medium: A preliminary study using classical and quantum mechanics”
“Stability of murexide-metal ion complexes in aqueous medium: A preliminary study using classical and quantum mechanics”, Shalini Thiruchittampalam, Madurai Edussuriya and Samantha Weerasinghe, 71st annual sessions of Sri Lanka Association for the advancement of science, Sri Lanka, University of Sri Jayawardanapura, Sri Lanka, November 30-December 04, 2015.
“Investigation of the interaction of caffeine with three selected drug molecules: A molecular modelling approach”
“Investigation of the interaction of caffeine with three selected drug molecules: A molecular modelling approach” (A poster presentation), Kavindi Ranasinghe and Samantha Weerasinghe, 71st annual sessions of Sri Lanka Association for the advancement of science, Sri Lanka, University of Sri Jayawardanapura, Sri Lanka, November 30-December 04, 2015.
“Binding affinity of steroid molecules from Sri Lankan flora to corticosteroid-binding globulin receptor using QSAR analysis”
“Binding affinity of steroid molecules from Sri Lankan flora to corticosteroid-binding globulin receptor using QSAR analysis”, Samith Rathnayake and Samantha Weerasinghe, 71st annual sessions of Sri Lanka Association for the advancement of science, Sri Lanka, University of Sri Jayawardanapura, Sri Lanka, November 30-December 04, 2015.
“Molecular modeling of the binding of coumarin derivatives to human topoisomerase II”
“Molecular modeling of the binding of coumarin derivatives to human topoisomerase II”, Amali Guruge, Samantha Weerasinghe and Chandanie Udawatte 70th annual sessions of Sri Lanka Association for the advancement of science, Sri Lanka, University of Kelaniya, December 01-05, 2014.
“Misfolding of -amyloid protein due to electrostatic interaction of heavy metals and methionine sulphur using Cu2+ as a model”
“Misfolding of -amyloid protein due to electrostatic interaction of heavy metals and methionine sulphur using Cu2+ as a model”, S.S. Gajaweera, Rohan.P. Perera and Samantha Weerasinghe, Annual Research Symposium, University of Colombo, Sri Lanka, November 20-21, 2014.
“Interaction of caffeine dimers with water molecules”, Rajendram Senthilnithy, Samantha Weerasingha and Dhammika Dissanayake, Computational and Theoretical Chemistry, 1028, 60-64 (2014)
“Loss of a-helical structure of b-amyloid monomer: A computational Study”
“Loss of a-helical structure of b-amyloid monomer: A computational Study”, S. S. Gajaweera and Samantha Weerasinghe, 69th annual sessions of Sri Lanka Association for the advancement of science, Sri Lanka, University of Kelaniya, December 02-06, 2013.
“Investigation of some properties of compounds extracted from Pouteriacampechiana (Lavulu) fruit and seed”
“Investigation of some properties of compounds extracted from Pouteriacampechiana (Lavulu) fruit and seed”, M.N.N. Perera, Samantha Weerasinghe and Chamari Hettiarachchi, Annual Research Symposium, University of Colombo, Sri Lanka, October 03-04, 2013.
“Initiation of b-ladder formation of the Osaka mutant of b-Amyloid: A computational study”
“Initiation of b-ladder formation of the Osaka mutant of b-Amyloid: A computational study”, S.S. Gajaweera, Rohan.P. Perera and Samantha Weerasinghe, Annual Research Symposium, University of Colombo, Sri Lanka, October 03-04, 2013.
“Theory and Simulation of Multicomponent Osmotic Systems”
“Theory and Simulation of Multicomponent Osmotic Systems”,Sadish Karunaweera, Moon Bae Gee, Samantha Weerasinghe and Paul E. Smith, Chem. Theory Comput, 8, 3493-3503 (2012)
“Development of Short Range Hazard prediction model for toxic air pollutants”
“Development of Short Range Hazard prediction model for toxic air pollutants”, M.M.M.S. Kumara, Samantha Weerasinghe, Annual Research Symposium, University of Colombo, Sri Lanka, August 16-17, 2012
“Study of aggregate formation of caffeine in water by molecular dynamics simulation”
“Study of aggregate formation of caffeine in water by molecular dynamics simulation”, Rangana Sanjeewa and Samantha Weerasinghe, Computational and Theoretical Chemistry, 966 140-148 (2011)
“Kirkwood-Buff Theory Derived force field for amines and carboxylic acids”
“Kirkwood-Buff Theory Derived force field for amines and carboxylic acids”, Shu Dai, Samantha Weerasinghe and Paul Smith, 241st ACS National Meeting & Exposition, March 27-31, 2011, Anaheim, California, USA
“Investigation of Stability of caffeine dimer in water clusters: A quantum mechanical study”
“Investigation of Stability of caffeine dimer in water clusters: A quantum mechanical study”, Gayani Nadeera Pallewela, Samantha Weerasingheand Dhammika Dissanayake, Annual Research Symposium, Sri Lanka, University of Colombo, June 28 2011
“Investigating the local microstructure of solutions”, Elizabeth A. Ploetz, Samantha Weerasinghe and Paul Smith, 241st ACS National Meeting & Exposition March 27-31, 2011, Anaheim, California, USA.
“A Kirkwood-Buff Derived Force Field for Aqueous Alkali Halides”
“A Kirkwood-Buff Derived Force Field for Aqueous Alkali Halides”, Moon Bae Gee, Nicholas R. Cox, Yuanfang Jiao, Nikolaos Bentenitis, Samantha Weerasinghe, and Paul E. Smith, J. Chem. Theory Comput., 7 (5),1369–1380 (2011)
“Molecular Mechanics Force Field for Caffeine and Study of Hydrophobic Interaction”
“Molecular Mechanics Force Field for Caffeine and Study of Hydrophobic Interaction” Samantha Weerasinghe Presented at the Physical Chemistry seminar series, Department of Chemistry, Kansas State University, Manhattan, KS 66506, U.S.A., March 09, 2010.
“Development of a molecular mechanics force field for caffeine to investigate the interactions of caffeine in different solvent media”
“Development of a molecular mechanics force field for caffeine to investigate the interactions of caffeine in different solvent media”, Rangana Sanjeewa and Samantha Weerasinghe, J. Mol. Struc. (THEOCHEM), 944, 116-123 (2010)
“Simulation of structural and functional properties of mevalonate diphosphate decarboxylase (MVD)”
“Simulation of structural and functional properties of mevalonate diphosphate decarboxylase (MVD)”, Samantha Weerasinghe Ranil S. Dassanayake, J. Mol. Model, (accepted for publication, 2009)
“New molecular mechanics force field for caffeine: A molecular dynamics simulation study”
“New molecular mechanics force field for caffeine: A molecular dynamics simulation study”, Rangana Sanjeewa and Samantha Weerasinghe, 65th annual sessions of Sri Lanka Association for the advancement of science, Sri Lanka, University of Kelaniya, December 07-11, 2009
“Investigation of the most probable structure for caffeine dimer: An ab initio study”
“Investigation of the most probable structure for caffeine dimer: An ab initio study”, Indhika Jayasinghe and Samantha Weerasinghe, 65th annual sessions of Sri Lanka Association for the advancement of science, Sri Lanka , University of Kelaniya, December 07-11, 2009
“Investigation of the effects of chemical denaturing agents on hydrophobic interaction by molecular simulation”
“Investigation of the effects of chemical denaturing agents on hydrophobic interaction by molecular simulation” Rangana Sanjeewa and Samantha Weerasinghe, 6th lecture series of the Graduate School of Chemical and Molecular Sciences CMSZH at the University of Zurich, Switzerland, May 2009
“Investigation of structure and properties of Cun (n=2-6) clusters using density functional theory methods”
“Investigation of structure and properties of Cun (n=2-6) clusters using density functional theory methods”, A.N. Madusanka, Samantha Weerasinghe, 65th annual sessions of Sri Lanka Association for the advancement of science, Sri Lanka , University of Kelaniya, December 07-11, 2009
“Investigation of accuracy of molecular mechanics force field of dimethyl sulfoxide (DMSO): A molecular simulation study”
“Investigation of accuracy of molecular mechanics force field of dimethyl sulfoxide (DMSO): A molecular simulation study”, Dilini Vithanage and Samantha Weerasinghe, 65th annual sessions of Sri Lanka Association for the advancement of science, Sri Lanka, University of Kelaniya, December 07-11, 2009
“Development of new molecular mechanics force field for caffeine”
“Development of new molecular mechanics force field for caffeine” Rangana Sanjeewa and Samantha Weerasinghe, NSF Annual Review Session, NSF Auditorium, Colombo, Sri Lanka May 2009
“Stability of hydroxamate ions in aqueous medium”, R. Senthilnithy, S. Weerasinghe & D.P. Dissanayake, J. Mol. Struc. (Theochem), 851, 109-114 (2008)
“Recent applications of Kirkwood-Buff theory to biological systems”
“Recent applications of Kirkwood-Buff theory to biological systems”, Veronica Pierce, Myungshim Kang, Mahalaxmi Aburi, Samantha Weerasinghe and Paul E. Smith, Cell Biochem. Biophys. 50:1-22, (2008)