Prof. M.S. Samantha Weerasinghe
Department of Chemistry
Presentations
Publication Types:
QM/MM studies on Inhibition of Histone Deacetylation
QM/MM studies on Inhibition of Histone Deacetylation, Dushanan R., Dissanayake D. P., Weerasinghe S. and R. Senthilnithy R. , 1st International Conference on Frontiers in Chemical Technology, Institute of Chemistry Ceylon, FICT – 2020, Conference Proceedings, p. 98.
Investigation of the thermodynamics of hydration of hydrophobic surfaces: A computational Approach
Interaction of Hydroxamic Acids Derivatives in the Clinical Trial I with HDLP Enzyme; An in-silico Approach
Interaction of hydroxamic acids derivatives in the clinical trial I with HDLP enzyme; An in-silico approach, Parthiban G., Dushanan R., Weerasinghe S., Dissanayake D. P., Senthilnithy R., 1st International Conference on Frontiers in Chemical Technology, Institute of Chemistry Ceylon, FICT – 2020, Conference Proceedings, p. 100.
In-silico study of binding interaction of a xanthone of hypericum mysorense with aldose reductase
Effect of long term consumption of porridges made with M.charantia on glycemic and lipidemic parameters of diabetic Wistar rats and cytotoxicity assay
Comparison of structural properties and energetics of model amino acids containing unsaturated side chains using all-atom and united atom force fields in MD simulation (Poster Presentation)
A Computational Study on the Impact of As(III) Ion on the Secondary Structure of the Human-PKM2 Enzyme
A computational study on the impact of As(III) ion on the secondary structure of the human-PKM2 enzyme, Paligaspe G. M. P. R, Weerasinghe S., Dissanayake D. P., Senthilnithy R., 1st International Conference on Frontiers in Chemical Technology, Institute of Chemistry Ceylon, FICT – 2020, Conference Proceedings, p. 127
Whether mankind has a chance of succor from the plant kingdom in neurodegeneration? An in-silico investigation
Shalini Thiruchittampalam ,Samantha Weerasinghe, Whether mankind has a chance of succor from the plant kingdom in neurodegeneration? An in-silico investigation, 3 rd International Conference on Bioscience and Biotechnology, Movenpick hotel, Colombo, Sri Lanka, March 08-09, 2018
The effect of different charge distributions of urea on molecular wire formation in a single walled carbon nanotube via computational approach
Udara Abeyruwan, Samantha Weerasinghe, The effect of different charge distributions of urea on molecular wire formation in a single walled carbon nanotube via computational approach, 74th Annual Session, Sri lanka Association for the Advancement of Science, 2018, 77
Molecular Simulation Study on the Conformational Changes of Glucocorticoid Receptor DNA-Binding Domain in Complex with DNA
Kalani Kaushalya Jayanetti, Samantha Weerasinghe, Molecular Simulation Study on the Conformational Changes of Glucocorticoid Receptor DNA-Binding Domain in Complex with DNA, 74th Annual Session, Sri lanka Association for the Advancement of Science, 2018, 79
Rotational dynamics of the proton-proton vector of water molecules in very short time regime
W.A.M. Madhavi, S. Weerasinghe, K.I. Momot, Rotational dynamics of the proton-proton vector of water molecules in very short time regime, Research Symposium, University of Colombo, 2018
Probable chemical compounds from Sri Lankan flora for the treatment of neurodegeneration
Shalini Thiruchittampalam, Samantha Weerasinghe, Probable chemical compounds from Sri Lankan flora for the treatment of neurodegeneration, SLAYS Open Forum 2017, “Research for Impact: March of the Sri Lankan Young Scientists”, Hilton Colombo Residences, Colombo, February 28 – March 01, 2017
Computational Studies on Inhibition of Histone Deacetylation by Hydroxamic Acid Derivatives: An In-Silico Approach
R. Dushanan, G.R. Ranawaka, S. Weerasinghe, R. Senthilnithy, Computational Studies on Inhibition of Histone Deacetylation by Hydroxamic Acid Derivatives: An In-Silico Approach, 15th Open University Research Sessions, Sri Lanka, 2017 , 461-464
A computational approach to identify suitable compounds from Sri Lankan flora envisaging remedial therapy for selected neurodegenerative diseases
Shalini Thiruchittampalam, Samantha Weerasinghe, A computational approach to identify suitable compounds from Sri Lankan flora envisaging remedial therapy for selected neurodegenerative diseases, International research symposium on Pure and Applied Sciences University of Kelaniya, Sri Lanka, University of Kelaniya, October 20, 2017.
Rotational diffusion propagator of collagen-bound water molecules
W.A.M. Madhavi, S. Weerasinghe, K.I. Momot, Rotational diffusion propagator of collagen-bound water molecules, ANZMAG Conference, Australia, December 2017
Rotational Diffusion of Liquid Methane: A Molecular Dynamics Simulation Study
W.A.M. Madhavi, S. Weerasinghe, K.I. Momot, Rotational Diffusion of Liquid Methane: A Molecular Dynamics Simulation Study, ICCMS Proceedings, 2017, 214-217
Molecular dynamics simulation study of the rotational diffusion of liquid methane
W.A.M. Madhavi, S. Weerasinghe, K.I. Momot, Molecular dynamics simulation study of the rotational diffusion of liquid methane, Research Symposium, University of Colombo, 2017
1H nuclear spin relaxation rates of water near a collagen molecule
W.A.M. Madhavi, S. Weerasinghe, K.I. Momot, 1H nuclear spin relaxation rates of water near a collagen molecule, Conference on Atomistic Simulations of Biomolecules, Trieste, Italy, 2017
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
“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.
“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.
“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
“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