Capturing the Effects of Explicit Waters in Implicit Electrostatics Modeling: Qualitative Justification of Gaussian-Based Dielectric Models in DelPhi

Arghya Chakravorty, Shailesh Kumar Panday, Swagata Pahari, Shan Zhao 0001, Emil Alexov. Capturing the Effects of Explicit Waters in Implicit Electrostatics Modeling: Qualitative Justification of Gaussian-Based Dielectric Models in DelPhi. Journal of Chemical Information and Computer Sciences, 60(4):2229-2246, 2020. [doi]

Authors

Arghya Chakravorty

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Shailesh Kumar Panday

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Swagata Pahari

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Shan Zhao 0001

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Emil Alexov

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