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Showing 1 to 3 of 3 for “"Polar Cavity"”.
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Thermodynamics of Buried Water in Protein Cavities and Revised Algorithms for Introducing Polarizability to Molecular Dynamics Simulations
… molecule from the pure liquid to an interior cavity site in a protein are presented. Three different protein cavities, in bovine pancreatic trypsin inhibitor (BPTI), the I106A mutant of lysozyme, and in the I76A mutant of barnase, represent very different environments for the water molecule, …
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Preparation of arylphosphinic acid derivatives as building blocks for binding sites
… a macrocyclic peptide. This macrocycle has a non-polar cavity, a hydrophilic external surface and multiple functional groups. The new method for making arylphosphinates also provides a general pathway for synthesis of inhibitors of tyrosine phosphatase;In connection with this research on molecular …
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Nodal integral methods for heat and mass transfer in curvilinear coordinates
Submission original under an indefinite embargo labeled 'Open Access'. The submission was exported from vireo on 2022-11-11 without embargo terms