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Samantha Weerasinghe

Observed names: S. Weerasinghe, S., Weerasinghe, Weerasinghe S., Weerasinghe, Samantha
Observed institutions: University of Ruhuna, Kansas State University, CINEC Campus (Pvt) Ltd., University of Houston, University of Maine, University of Colombo
ORCID: 0000-0003-4807-5784
Observed ORCID: 0000-0003-4807-5784
OpenAlex ID: A5039921506
A Kirkwood−Buff Derived Force Field for Mixtures of Urea and Water
2003 · Samantha Weerasinghe, Paul E. Smith · The Journal of Physical Chemistry B · 253
Recent Applications of Kirkwood–Buff Theory to Biological Systems
2007 · Veronica Pierce, Myungshim Kang, et al. · Cell Biochemistry and Biophysics · 232
A Kirkwood–Buff derived force field for sodium chloride in water
2003 · Samantha Weerasinghe, Paul E. Smith · The Journal of Chemical Physics · 229
A Kirkwood-Buff Derived Force Field for Aqueous Alkali Halides
2011 · Moon Bae Gee, Nicholas R. Cox, et al. · Journal of Chemical Theory and Computation · 157
Absolute classical densities of states for very anharmonic systems and applications to the evaporation of rare gas clusters
1993 · Samantha Weerasinghe, François G. Amar · The Journal of Chemical Physics · 155
Kirkwood–Buff derived force field for mixtures of acetone and water
2003 · Samantha Weerasinghe, Paul E. Smith · The Journal of Chemical Physics · 136
A Kirkwood−Buff Derived Force Field for Methanol and Aqueous Methanol Solutions
2005 · Samantha Weerasinghe, Paul E. Smith · The Journal of Physical Chemistry B · 114
A Kirkwood-Buff derived force field for the simulation of aqueous guanidinium chloride solutions
2004 · Samantha Weerasinghe, Paul E. Smith · The Journal of Chemical Physics · 85
Ideal chemical potential contribution in molecular dynamics simulations of the grand canonical ensemble
1994 · Samantha Weerasinghe, B. Montgomery Pettitt · Molecular Physics · 79
Nanosecond Dynamics and Structure of a Model DNA Triple Helix in Saltwater Solution
1995 · Samantha Weerasinghe, Paul E. Smith, et al. · Journal of the American Chemical Society · 78
Dielectric response of triplex DNA in ionic solution from simulations
1995 · L. Yang, S. Weerasinghe, et al. · Biophysical Journal · 64
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Cavity formation and preferential interactions in urea solutions: Dependence on urea aggregation
2003 · Samantha Weerasinghe, Paul E. Smith · The Journal of Chemical Physics · 45
Kirkwood–Buff-Derived Force Field for Peptides and Proteins: Philosophy and Development of KBFF20
2021 · Elizabeth A. Ploetz, Sadish Karunaweera, et al. · Journal of Chemical Theory and Computation · 32
Structure and Dynamics of Collagen Hydration Water from Molecular Dynamics Simulations: Implications of Temperature and Pressure
2019 · W. A. Monika Madhavi, Samantha Weerasinghe, et al. · The Journal of Physical Chemistry B · 32
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Structure and stability of a model pyrimidine-purine-purine DNA triple helix with a GC.cntdot.T mismatch by simulation
1995 · Samantha Weerasinghe, Paul E. Smith, et al. · Biochemistry · 29
Is cluster evaporation statistical? A comparison of simulation results for Ar13 with exact classical phase space theory
1991 · S. Weerasinghe, F. G. Amar · Zeitschrift für Physik D Atoms Molecules and Clusters · 26
Theory and Simulation of Multicomponent Osmotic Systems
2012 · Sadish Karunaweera, Moon Bae Gee, et al. · Journal of Chemical Theory and Computation · 24
Development of a molecular mechanics force field for caffeine to investigate the interactions of caffeine in different solvent media
2010 · Rangana Sanjeewa, Samantha Weerasinghe · Journal of Molecular Structure THEOCHEM · 22
Developing Force Fields from the Microscopic Structure of Solutions: The Kirkwood–Buff Approach
2010 · Samantha Weerasinghe, Moon Bae Gee, et al. · Wiley eBooks · 20
Cracking a cancer code histone deacetylation in epigenetic: the implication from molecular dynamics simulations on efficacy assessment of histone deacetylase inhibitors
2020 · Ramachandren Dushanan, Samantha Weerasinghe, et al. · Journal of Biomolecular Structure and Dynamics · 19
Study of aggregate formation of caffeine in water by molecular dynamics simulation
2011 · Rangana Sanjeewa, Samantha Weerasinghe · Computational and Theoretical Chemistry · 19
An In Silico Approach of Coumarin-Derived Inhibitors for Human DNA Topoisomerase I
2016 · Amali G. Guruge, Chandani Udawatte, et al. · Australian Journal of Chemistry · 15
Rotational-Diffusion Propagator of the Intramolecular Proton–Proton Vector in Liquid Water: A Molecular Dynamics Study
2017 · W. A. Monika Madhavi, Samantha Weerasinghe, et al. · The Journal of Physical Chemistry B · 14
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Reorientational dynamics of molecules in liquid methane: A molecular dynamics simulation study
2020 · W.A. Monika Madhavi, Samantha Weerasinghe, et al. · Journal of Molecular Liquids · 13
Implication of Ab Initio, QM/MM, and molecular dynamics calculations on the prediction of the therapeutic potential of some selected HDAC inhibitors
2022 · Ramachandren Dushanan, Samantha Weerasinghe, et al. · Molecular Simulation · 12
Works count: 49
Citation count: 2,000
H-index: 19
I10-index: 29
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