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A New Approach for Investigating the Molecular Recognition of Protein: Toward Structure-Based Drug Design Based on the 3D-RISM Theory
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Outgoing claims: the papers this work cites, builds on, or argues with.
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The electronic-structure theory of a large-molecular system in solution: Application to the intercalation of proflavine with solvated DNA
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Affinity of small ligands to myoglobin studied by the 3D-RISM theory
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First-principles realization of a van der Waals–Maxwell theory for water
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Diversity of group types, regulation, and function of phospholipase A2.
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Facilitation of phospholipase A2 activity by mastoparans, a new class of mast cell degranulating peptides from wasp venom.
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Visualization of solvation structures in liquid mixtures
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Molecular basis for the Born model of ion solvation
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Water Molecules in a Protein Cavity Detected by a Statistical−Mechanical Theory
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Selective Ion-Binding by Protein Probed with the 3D-RISM Theory
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On the Proton Exclusion of Aquaporins: A Statistical Mechanics Study
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Proton Transport through the Influenza A M2 Channel: Three-Dimensional Reference Interaction Site Model Study
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Ligand Mapping on Protein Surfaces by the 3D-RISM Theory: Toward Computational Fragment-Based Drug Design
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Selective Ion Binding by Protein Probed with the Statistical Mechanical Integral Equation Theory
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Three-Dimensional Distribution Function Theory for the Prediction of Protein−Ligand Binding Sites and Affinities: Application to the Binding of Noble Gases to Hen Egg-White Lysozyme in Aqueous Solution
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Molecular Selectivity in Aquaporin Channels Studied by the 3D- RISM Theory
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Molecular Recognition in Biomolecules Studied by Statistical-Mechanical Integral-Equation Theory of Liquids
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Optimized Cluster Expansions for Classical Fluids. II. Theory of Molecular Liquids
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Density functional theory of nonuniform polyatomic systems. I. General formulation
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Solvation structure and stability of peptides in aqueous solutions analyzed by the reference interaction site model theory
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Self-consistent description of a metal–water interface by the Kohn–Sham density functional theory and the three-dimensional reference interaction site model
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Localization of Structural Elements of Bee Venom Phospholipase A2 Involved in N-type Receptor Binding and Neurotoxicity
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The Many Roles of Computation in Drug Discovery
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Monte Carlo Simulation for the Pharmaceutical Industry
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Incoming claims: where this work appears in other papers’ reference lists and arguments.
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