Article-Journal

A Density-Consistent, Finite van der Waals Potential from Gaussian Atomic Densities
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pGM5P-26: A Polarizable Gaussian Multipole Water Model with Transferable Temperature-Dependent Thermodynamics
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Charge Transfer Interactions in Quantum Mechanics and in Classical Force Fields
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STK38/L promote tissue growth and cancer by inhibiting the Hippo pathway
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AmberTorchPB: A Unified Framework for Poisson–Boltzmann-Based Reaction Field Energy Calculation via Tensor Computation
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DEGAUSS: A Novel Softcore Force Field Using Double Exponential van der Waals and Gaussian Charge for Molecular Dynamics Simulations I: Theory and Validation
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Optimization of Lennard–Jones Parameters for Induced Dipole Polarizable Gaussian Multipole Force Field
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End-to-End Modeling of Reaction Field Energy Using Data-Driven Geometric Graph Neural Networks
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Grid-Context Convolutional Model for Efficient Molecular Surface Construction from Point Clouds
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Isotropic Periodic Sum for Polarizable Gaussian Multipole Model
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