A Critical Assessment of Two-Body and Three-Body Interactions in Water
Medders, Gregory R, Babin, Volodymyr, Paesani, Francesco
Published in Journal of chemical theory and computation (12.02.2013)
Published in Journal of chemical theory and computation (12.02.2013)
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Journal Article
The Water Hexamer: Cage, Prism, or Both. Full Dimensional Quantum Simulations Say Both
Wang, Yimin, Babin, Volodymyr, Bowman, Joel M, Paesani, Francesco
Published in Journal of the American Chemical Society (11.07.2012)
Published in Journal of the American Chemical Society (11.07.2012)
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Journal Article
Adaptively biased molecular dynamics for free energy calculations
Babin, Volodymyr, Roland, Christopher, Sagui, Celeste
Published in The Journal of chemical physics (07.04.2008)
Published in The Journal of chemical physics (07.04.2008)
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Journal Article
Binding polymorphism in the DNA bound state of the Pdx1 homeodomain
Babin, Volodymyr, Wang, Dongli, Rose, Robert B, Sagui, Celeste
Published in PLoS computational biology (01.08.2013)
Published in PLoS computational biology (01.08.2013)
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Journal Article
Development of a “First Principles” Water Potential with Flexible Monomers: Dimer Potential Energy Surface, VRT Spectrum, and Second Virial Coefficient
Babin, Volodymyr, Leforestier, Claude, Paesani, Francesco
Published in Journal of chemical theory and computation (10.12.2013)
Published in Journal of chemical theory and computation (10.12.2013)
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Journal Article
Development of a “First Principles” Water Potential with Flexible Monomers. II: Trimer Potential Energy Surface, Third Virial Coefficient, and Small Clusters
Babin, Volodymyr, Medders, Gregory R, Paesani, Francesco
Published in Journal of chemical theory and computation (08.04.2014)
Published in Journal of chemical theory and computation (08.04.2014)
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Journal Article
Reaction path ensemble of the B-Z-DNA transition: a comprehensive atomistic study
Moradi, Mahmoud, Babin, Volodymyr, Roland, Christopher, Sagui, Celeste
Published in Nucleic acids research (01.01.2013)
Published in Nucleic acids research (01.01.2013)
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Journal Article
The α-sheet: A missing-in-action secondary structure?
Babin, Volodymyr, Roland, Christopher, Sagui, Celeste
Published in Proteins, structure, function, and bioinformatics (01.03.2011)
Published in Proteins, structure, function, and bioinformatics (01.03.2011)
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Journal Article
Erratum: Development of a “First-Principles” Water Potential with Flexible Monomers: Dimer Potential Energy Surface, VRT Spectrum, and Second Virial Coefficient
Babin, Volodymyr, Leforestier, Claude, Paesani, Francesco
Published in Journal of chemical theory and computation (12.08.2014)
Published in Journal of chemical theory and computation (12.08.2014)
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Journal Article
Erratum: Development of a “First-Principles” Water Potential with Flexible Monomers: Dimer Potential Energy Surface, VRT Spectrum, and Second Virial Coefficient
Babin, Volodymyr, Leforestier, Claude, Paesani, Francesco
Published in Journal of chemical theory and computation (13.05.2014)
Published in Journal of chemical theory and computation (13.05.2014)
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Journal Article
A New Mixed All-Atom/Coarse-Grained Model: Application to Melittin Aggregation in Aqueous Solution
Shelley, Mee Y, Selvan, Myvizhi Esai, Zhao, Jun, Babin, Volodymyr, Liao, Chenyi, Li, Jianing, Shelley, John C
Published in Journal of chemical theory and computation (08.08.2017)
Published in Journal of chemical theory and computation (08.08.2017)
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Journal Article