Publications | Zhen Huanghttps://larryhuang98.github.io/publications/PublicationsHugoBlox Kit (https://hugoblox.com)en-usTue, 06 Oct 2026 00:00:00 +0000https://larryhuang98.github.io/media/icon_hu_b82a7609a53b8f1a.pngPublicationshttps://larryhuang98.github.io/publications/A Density-Consistent, Finite van der Waals Potential from Gaussian Atomic Densitieshttps://larryhuang98.github.io/publications/gvdw-pgm/Tue, 06 Oct 2026 00:00:00 +0000https://larryhuang98.github.io/publications/gvdw-pgm/STK38/L promote tissue growth and cancer by inhibiting the Hippo pathwayhttps://larryhuang98.github.io/publications/stk38l-hippo/Wed, 01 Jul 2026 00:00:00 +0000https://larryhuang98.github.io/publications/stk38l-hippo/BPS2026 – Methodological considerations for MM-PBSA calculations of binding affinities in highly charged protein-protein systems: A systematic studyhttps://larryhuang98.github.io/publications/mm-pbsa-bps-2026/Sun, 01 Feb 2026 00:00:00 +0000https://larryhuang98.github.io/publications/mm-pbsa-bps-2026/DEGAUSS-3p: A Three-Site Water Model from Soft Gaussian-Charge Electrostatics and a Rare-Gas-Calibrated Double-Exponential Potentialhttps://larryhuang98.github.io/publications/degauss-3p/Thu, 01 Jan 2026 00:00:00 +0000https://larryhuang98.github.io/publications/degauss-3p/GPU Implementation and Performance Optimization of the Polarizable Gaussian Multipole Model in AMBERhttps://larryhuang98.github.io/publications/pgm-gpu/Thu, 01 Jan 2026 00:00:00 +0000https://larryhuang98.github.io/publications/pgm-gpu/GPU-Accelerated DEGAUSS in AMBER for Molecular Dynamics and Alchemical Free-Energy Calculationshttps://larryhuang98.github.io/publications/degauss-gpu/Thu, 01 Jan 2026 00:00:00 +0000https://larryhuang98.github.io/publications/degauss-gpu/Isotropic Periodic Sum for Learning Classical Interactions with Finite-Cutoff Graph Neural Networkshttps://larryhuang98.github.io/publications/ips-gnn/Thu, 01 Jan 2026 00:00:00 +0000https://larryhuang98.github.io/publications/ips-gnn/DEGAUSS: A Novel Softcore Force Field Using Double Exponential van der Waals and Gaussian Charge for Molecular Dynamics Simulations I: Theory and Validationhttps://larryhuang98.github.io/publications/degauss/Fri, 14 Nov 2025 00:00:00 +0000https://larryhuang98.github.io/publications/degauss/Optimization of Lennard–Jones Parameters for Induced Dipole Polarizable Gaussian Multipole Force Fieldhttps://larryhuang98.github.io/publications/pgm-lj-optimization/Wed, 08 Oct 2025 00:00:00 +0000https://larryhuang98.github.io/publications/pgm-lj-optimization/Isotropic Periodic Sum for Polarizable Gaussian Multipole Modelhttps://larryhuang98.github.io/publications/ips-pgm/Mon, 07 Apr 2025 00:00:00 +0000https://larryhuang98.github.io/publications/ips-pgm/Automated Refinement of Property-Specific Polarizable Gaussian Multipole Water Models Using Bayesian Black-Box Optimizationhttps://larryhuang98.github.io/publications/pgm-water-bayesian-optimization/Thu, 20 Mar 2025 00:00:00 +0000https://larryhuang98.github.io/publications/pgm-water-bayesian-optimization/Performance Tuning of Polarizable Gaussian Multipole Model in Molecular Dynamics Simulationshttps://larryhuang98.github.io/publications/pgm-performance-tuning/Wed, 08 Jan 2025 00:00:00 +0000https://larryhuang98.github.io/publications/pgm-performance-tuning/Functional annotation of the Hippo pathway somatic mutations in human cancershttps://larryhuang98.github.io/publications/hippo-pathway-mutations/Tue, 19 Nov 2024 00:00:00 +0000https://larryhuang98.github.io/publications/hippo-pathway-mutations/Optimal Scheme to Achieve Energy Conservation in Induced Dipole Modelshttps://larryhuang98.github.io/publications/induced-dipole-energy-conservation/Thu, 13 Jul 2023 00:00:00 +0000https://larryhuang98.github.io/publications/induced-dipole-energy-conservation/