Result Number | Material Type | Add to My Shelf Action | Record Details and Options |
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Material Type: Artigo
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Advancing Drug Discovery through Enhanced Free Energy CalculationsAbel, Robert ; Wang, Lingle ; Harder, Edward D ; Berne, B. J ; Friesner, Richard AAccounts of chemical research, 2017-07, Vol.50 (7), p.1625-1632 [Periódico revisado por pares]United States: American Chemical SocietyTexto completo disponível |
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2 |
Material Type: Artigo
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Prediction of Protein–Ligand Binding Poses via a Combination of Induced Fit Docking and Metadynamics SimulationsClark, Anthony J ; Tiwary, Pratyush ; Borrelli, Ken ; Feng, Shulu ; Miller, Edward B ; Abel, Robert ; Friesner, Richard A ; Berne, B. JJournal of chemical theory and computation, 2016-06, Vol.12 (6), p.2990-2998 [Periódico revisado por pares]United States: American Chemical SocietyTexto completo disponível |
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3 |
Material Type: Artigo
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Urea’s Action on Hydrophobic InteractionsZangi, Ronen ; Zhou, Ruhong ; Berne, B. JJournal of the American Chemical Society, 2009-02, Vol.131 (4), p.1535-1541 [Periódico revisado por pares]United States: American Chemical SocietyTexto completo disponível |
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4 |
Material Type: Artigo
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When Does Trimethylamine N‑Oxide Fold a Polymer Chain and Urea Unfold It?Mondal, Jagannath ; Stirnemann, Guillaume ; Berne, B. JThe journal of physical chemistry. B, 2013-07, Vol.117 (29), p.8723-8732 [Periódico revisado por pares]Washington, DC: American Chemical SocietyTexto completo disponível |
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5 |
Material Type: Artigo
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Urea denaturation by stronger dispersion interactions with proteins than water implies a 2-stage unfoldingHua, Lan ; Zhou, Ruhong ; Thirumalai, D ; Berne, B.JProceedings of the National Academy of Sciences - PNAS, 2008-11, Vol.105 (44), p.16928-16933 [Periódico revisado por pares]United States: National Academy of SciencesTexto completo disponível |
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6 |
Material Type: Artigo
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Effect of Ions on the Hydrophobic Interaction between Two PlatesZangi, Ronen ; Hagen, Morten ; Berne, B. JJournal of the American Chemical Society, 2007-04, Vol.129 (15), p.4678-4686 [Periódico revisado por pares]United States: American Chemical SocietyTexto completo disponível |
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7 |
Material Type: Artigo
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Predicting reaction coordinates in energy landscapes with diffusion anisotropyTiwary, Pratyush ; Berne, B. J.The Journal of chemical physics, 2017-10, Vol.147 (15), p.152701-152701 [Periódico revisado por pares]United States: American Institute of PhysicsTexto completo disponível |
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8 |
Material Type: Artigo
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Observation of a dewetting transition in the collapse of the melittin tetramerZhou, Ruhong ; Berne, B. J ; Liu, Pu ; Huang, XuhuiNature, 2005-09, Vol.437 (7055), p.159-162 [Periódico revisado por pares]England: Nature Publishing GroupTexto completo disponível |
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9 |
Material Type: Artigo
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On achieving high accuracy and reliability in the calculation of relative protein–ligand binding affinitiesWang, Lingle ; Berne, B. J. ; Friesner, Richard A.Proceedings of the National Academy of Sciences - PNAS, 2012-02, Vol.109 (6), p.1937-1942 [Periódico revisado por pares]United States: National Academy of SciencesTexto completo disponível |
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10 |
Material Type: Artigo
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How a Kinase Inhibitor Withstands Gatekeeper Residue MutationsMondal, Jagannath ; Tiwary, Pratyush ; Berne, B. JJournal of the American Chemical Society, 2016-04, Vol.138 (13), p.4608-4615 [Periódico revisado por pares]United States: American Chemical SocietyTexto completo disponível |