Structure and Dynamics of Collagen Hydration Water from Molecular Dynamics Simulations: Implications of Temperature and Pressure von Madhavi, W. A. Monika, Weerasinghe, Samantha, Fullerton, Gary D, Momot, Konstantin I

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A Kirkwood–Buff derived force field for sodium chloride in water von Weerasinghe, Samantha, Smith, Paul E.

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Kirkwood–Buff derived force field for mixtures of acetone and water von Weerasinghe, Samantha, Smith, Paul E.

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A Kirkwood−Buff Derived Force Field for Methanol and Aqueous Methanol Solutions von Weerasinghe, Samantha, Smith, Paul E

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Exploration of Novel Mono Hydroxamic Acid Derivatives as Inhibitors for Histone Deacetylase Like Protein (HDLP) by Molecular Dynamics Studies von Parthiban, Gunasingham, Dushanan, Ramachandren, Weerasinghe, Samantha, Dissanayake, Dhammike, Senthilnithy, Rajendram

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Study of aggregate formation of caffeine in water by molecular dynamics simulation von Sanjeewa, Rangana, Weerasinghe, Samantha

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A Kirkwood-Buff derived force field for the simulation of aqueous guanidinium chloride solutions von Weerasinghe, Samantha, Smith, Paul E

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Plausible compounds drawn from plants as curative agents for neurodegeneration: Anin-silicoapproach von Thiruchittampalam, Shalini, Weerasinghe, Samantha

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Cavity formation and preferential interactions in urea solutions: Dependence on urea aggregation von Weerasinghe, Samantha, Smith, Paul E.

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Plausible compounds drawn from plants as curative agents for neurodegeneration: An in-silico approach von Thiruchittampalam, Shalini, Weerasinghe, Samantha

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Trichoderma virens β-glucosidase I (BGLI) gene; expression in Saccharomyces cerevisiae including docking and molecular dynamics studies von Wickramasinghe, Gammadde Hewa Ishan Maduka, Rathnayake, Pilimathalawe Panditharathna Attanayake Mudiyanselage Samith Indika, Chandrasekharan, Naduviladath Vishvanath, Weerasinghe, Mahindagoda Siril Samantha, Wijesundera, Ravindra Lakshman Chundananda, Wijesundera, Wijepurage Sandhya Sulochana

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Exploring the binding properties of agonists interacting with glucocorticoid receptor: an in silico approach von Rathnayake, Samith, Weerasinghe, Samantha

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Characterization of a Bacillus megaterium strain with metal bioremediation potential and in silico discovery of novel cadmium binding motifs in the regulator, CadC von Kumari, Weerasingha Mudiyanselage Nilmini Hasintha, Thiruchittampalam, Shalini, Weerasinghe, Mahinagoda Siril Samantha, Chandrasekharan, Naduviladath Vishvanath, Wijayarathna, Champika Dilrukshi

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Identify the effect of As(III) on the structural stability of monomeric PKM2 and its carcinogenicity: A molecular dynamics and QM/MM based approach von Paligaspe, Priyani, Weerasinghe, Samantha, Dissanayake, D.P., Senthilnithy, R.

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A Kirkwood-Buff Derived Force Field for Aqueous Alkali Halides von Gee, Moon Bae, Cox, Nicholas R, Jiao, Yuanfang, Bentenitis, Nikolaos, Weerasinghe, Samantha, Smith, Paul E

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Kirkwood–Buff-Derived Force Field for Peptides and Proteins: Philosophy and Development of KBFF20 von Ploetz, Elizabeth A, Karunaweera, Sadish, Bentenitis, Nikolaos, Chen, Feng, Dai, Shu, Gee, Moon B, Jiao, Yuanfang, Kang, Myungshim, Kariyawasam, Nilusha L, Naleem, Nawavi, Weerasinghe, Samantha, Smith, Paul E

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Recent Applications of Kirkwood–Buff Theory to Biological Systems von Pierce, Veronica, Kang, Myungshim, Aburi, Mahalaxmi, Weerasinghe, Samantha, Smith, Paul E.

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A Kirkwood−Buff Derived Force Field for Mixtures of Urea and Water von Weerasinghe, Samantha, Smith, Paul E

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Reorientational dynamics of molecules in liquid methane: A molecular dynamics simulation study von Madhavi, W.A. Monika, Weerasinghe, Samantha, Momot, Konstantin I.

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Rotational-Diffusion Propagator of the Intramolecular Proton–Proton Vector in Liquid Water: A Molecular Dynamics Study von Madhavi, W. A. Monika, Weerasinghe, Samantha, Momot, Konstantin I

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