Samantha Weerasinghe

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D.P. Dissanayake, Dhammike Dissana...University of Colombo, Sri LankaVerified email at chem.cmb.ac.lk
Prof. R SenthilnithyThe Open University of Sri LankaVerified email at ou.ac.lk
Myungshim KangCollege of Staten Island, City University of New YorkVerified email at csi.cuny.edu
François G. AmarProfessor emeritus of Chemistry, University of MaineVerified email at maine.edu
Nikos BentenitisVerified email at bentenitis.com
Konstantin MomotSenior Lecturer in Experimental Physics, Queensland University of TechnologyVerified email at qut.edu.au
W.A.Monika MadhaviSenior Lecturer, Department of Physics, University of Colombo, Sri LankaVerified email at phys.cmb.ac.lk
Samith RathnayakePostdoctoral Research Fellow,Concordia UniversityVerified email at concordia.ca
N.V. ChandrasekharanVerified email at chem.cmb.ac.lk
Rangana Sanjeewa WarshamanageMRC Laboratory of Molecular BiologyVerified email at mrc-lmb.cam.ac.uk
Shalini ThiruchittampalamUniversity of ColomboVerified email at chem.cmb.ac.lk
M. N. KaumalProfessor in Chemistry, Department of Chemistry, Faculty of Science, University of Colombo, SriVerified email at sci.cmb.ac.lk
Sadish KarunaweeraInstructorVerified email at ksu.edu
Elizabeth A. PloetzPostdoc, Kansas State UniversityVerified email at ksu.edu
C. Dilrukshi WijayarathnaBiotechnology Laboratory, Department of Chemistry, Faculty of Science, University of Colombo, SriVerified email at chem.cmb.ac.lk
R.S. Dassanayake University of ColomboVerified email at chem.cmb.ac.lk
Ramal V. CooreySenior Lecturer, Dept. of Physics, University of Colombo, Sri LankaVerified email at phys.cmb.ac.lk
Amali G. GurugeDepartment of Chemistry, University of LiverpoolVerified email at liverpool.ac.uk
Charith PerisSenior Applied Scientist, Amazon AGIVerified email at amazon.com
Gayani PallewelaNational University of SingaporeVerified email at ksu.edu

Samantha Weerasinghe

University of Colombo, Department of Chemistry, Sri Lanka

Verified email at chem.cmb.ac.lk - Homepage

Computational Chemistry Computer aided drug discovery Statistical Thermodynamics MM Force Field


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A Kirkwood− Buff derived force field for mixtures of urea and water S Weerasinghe, PE Smith The Journal of Physical Chemistry B 107 (16), 3891-3898, 2003	276	2003
A Kirkwood–Buff derived force field for sodium chloride in water S Weerasinghe, PE Smith The Journal of chemical physics 119 (21), 11342-11349, 2003	242	2003
Recent applications of Kirkwood–Buff theory to biological systems V Pierce, M Kang, M Aburi, S Weerasinghe, PE Smith Cell biochemistry and biophysics 50, 1-22, 2008	218	2008
Absolute classical densities of states for very anharmonic systems and applications to the evaporation of rare gas clusters S Weerasinghe, FG Amar The Journal of chemical physics 98 (6), 4967-4983, 1993	175	1993
A Kirkwood-Buff derived force field for aqueous alkali halides MB Gee, NR Cox, Y Jiao, N Bentenitis, S Weerasinghe, PE Smith Journal of chemical theory and computation 7 (5), 1369-1380, 2011	161	2011
Kirkwood–Buff derived force field for mixtures of acetone and water S Weerasinghe, PE Smith The Journal of chemical physics 118 (23), 10663-10670, 2003	161	2003
A Kirkwood− Buff derived force field for methanol and aqueous methanol solutions S Weerasinghe, PE Smith The Journal of Physical Chemistry B 109 (31), 15080-15086, 2005	136	2005
Nanosecond dynamics and structure of a model DNA triple helix in saltwater solution S Weerasinghe, PE Smith, V Mohan, YK Cheng, BM Pettitt Journal of the American Chemical Society 117 (8), 2147-2158, 1995	105	1995
Dielectric response of triplex DNA in ionic solution from simulations L Yang, S Weerasinghe, PE Smith, BM Pettitt Biophysical journal 69 (4), 1519-1527, 1995	96	1995
A Kirkwood-Buff derived force field for the simulation of aqueous guanidinium chloride solutions S Weerasinghe, PE Smith The Journal of chemical physics 121 (5), 2180-2186, 2004	90	2004
Ideal chemical potential contribution in molecular dynamics simulations of the grand canonical ensemble S Weerasinghe, BM Pettitt Molecular Physics 82 (5), 897-912, 1994	59	1994
Cavity formation and preferential interactions in urea solutions: Dependence on urea aggregation S Weerasinghe, PE Smith The Journal of chemical physics 118 (13), 5901-5910, 2003	56	2003
Structure and stability of a model pyrimidine-purine-purine DNA triple helix with a GC. cntdot. T mismatch by simulation S Weerasinghe, PE Smith, BM Pettitt Biochemistry 34 (50), 16269-16278, 1995	37	1995
Is cluster evaporation statistical? A comparison of simulation results for Ar₁₃ with exact classical phase space theory S Weerasinghe, FG Amar Zeitschrift für Physik D Atoms, Molecules and Clusters 20, 167-171, 1991	34	1991
Determination of heavy metals in tilapia using various digestion methods P Ranasinghe, S Weerasinghe, MN Kaumal Int J Sci Res Inno Technol 3, 38-48, 2016	30	2016
Theory and simulation of multicomponent osmotic systems S Karunaweera, MB Gee, S Weerasinghe, PE Smith Journal of chemical theory and computation 8 (10), 3493-3503, 2012	27	2012
Characterization of a Bacillus megaterium strain with metal bioremediation potential and in silico discovery of novel cadmium binding motifs in the regulator, CadC CW Nilmini Kumari, Shalini Thiruchittampalam, Samantha Weerasinghe Applied Microbiology and Biotechnology 105, 2573-2586, 2021	22	2021
Development of a molecular mechanics force field for caffeine to investigate the interactions of caffeine in different solvent media R Sanjeewa, S Weerasinghe Journal of Molecular Structure: THEOCHEM 944 (1-3), 116-123, 2010	22	2010
Study of aggregate formation of caffeine in water by molecular dynamics simulation R Sanjeewa, S Weerasinghe Computational and Theoretical Chemistry 966 (1-3), 140-148, 2011	21	2011
Developing force fields from the microscopic structure of solutions: The Kirkwood–Buff approach S Weerasinghe, MB Gee, M Kang, N Bentenitis, PE Smith Modeling solVent enVironments: applications to simulations of biomolecules …, 2010	21	2010

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