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A note on the minimal pairwise distance in optimal Lennard-Jones N-body clusters
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Unveiling the scaling laws behind spin-phonon enhanced decorrelation in spin chains
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A foundation model for atomistic materials chemistry.
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Analysis of long-range contacts across cell types outlines a core sequence determinant of 3D genome organization.
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Cyclically sheared colloidal gels: structural change and delayed failure time
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Towards Routine Condensed Phase Simulations with Delta-Learned Coupled Cluster Accuracy: Application to Liquid Water
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Visualising the Energy Landscape for a Molecular Dynamics Trajectory
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Vibrational energy landscapes and energy flow in GPCRs: comparison between class A and class B GPCRs using all atom and coarse-grained models
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Determination of nucleotide-nucleotide and nucleotide-amino acid binding interactions from all-atom potential-of-mean-force calculations
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Energy Landscape and Kinetic Analysis of Molecular Dynamics Simulations for Intrinsically Disordered Proteins.
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Differential stability and dynamics of DNA-based and RNA-based coacervates affect non-enzymatic RNA chemistry
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Oct4 clusters promote DNA accessibility by enhancing chromatin plasticity
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Design and Structural Transformations of Zinc(II) Knotted Cage Frameworks
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Entropy production rate in thermodynamically consistent flocks
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Transcorrelated methods for multireference problems
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Entropy Governs the Structure and Reactivity of Water Dissociation Under Electric Fields.
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Benchmark of Available Explicit Solvent Models in CHARMM36m to Characterize Glycosaminoglycans.
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Unexpected Oversolubility of CO2 Measured at Electrode-Electrolyte Interfaces
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Predicting Saturation Concentrations of Phase-Separating Proteins via Thermodynamic Integration.
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Individual and Cooperative Superexchange Enhancement in Cuprates
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Benchmarking distinguishable cluster methods to platinum standard CCSDT(Q) non-covalent interaction energies in the A24 dataset
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