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_publications/2019-IDAC.md

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@@ -6,7 +6,7 @@ excerpt: 'Infinite dilution activity coefficients (IDACs) express the degree of
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date: 2019-05-14
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venue: 'Journal of Chemical Theory and Computation'
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paperurl: 'http://gduarter.github.io/files/2019-IDAC.pdf'
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citation: 'G. Duarte Ramos Matos (2019). &quot;Infinite Dilution Activity Coefficients as Constraints for Force Field Parametrization and Method Development.&quot; <i>J. Chem. Theory Comput.</i>. 15 (5), 3066-3074.'
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citation: 'G. Duarte Ramos Matos et al. (2019). &quot;Infinite Dilution Activity Coefficients as Constraints for Force Field Parametrization and Method Development.&quot; <i>J. Chem. Theory Comput.</i>. 15 (5), 3066-3074.'
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__Abstract__:
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Molecular simulations begin with an underlying

_teaching/2020-fall-teaching.md

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location: "Stony Brook, United States of America"
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This course will provide an introduction to Computational Structural Biology with application to Drug Design. Methods and applications that use computation to model biological systems involved in human disease will be emphasized. The course aims to foster collaborative learning and will consist of presentations by the instructor, guest lecturers, and by course participants with the goal of summarizing key, methods, topics, and papers relevant to Computational Structural Biology. Grades are based on the quality of the presentations, participation in class discussion, attendance, quizzes, and a final exam.
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This course provides an introduction to Computational Structural Biology with application to Drug Design. Methods and applications that use computation to model biological systems involved in human disease will be emphasized. The course aims to foster collaborative learning and will consist of presentations by the instructor, guest lecturers, and by course participants with the goal of summarizing key, methods, topics, and papers relevant to Computational Structural Biology. Grades are based on the quality of the presentations, participation in class discussion, attendance, quizzes, and a final exam.
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