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Molecular Dynamics (MD) Simulations Provide Insights into the Activation Mechanisms of 5-HT2A Receptors

Publications Molecules

Molecular Mechanism of GIRK2 Channel Gating Modulated by Cholesteryl Hemisuccinate

Publications Frontiers in Physiology

Structures of the Mycobacterial MmpL4 and MmpL5 Transporters Provide Insights into Their Role in Siderophore Export and Iron Acquisition

Publications PLOS Biology

Criteria for Dynamic Stall Onset and Vortex Shedding in Low-Reynolds-Number Flows

Publications Journal of Fluid Mechanics

Refining HPCToolkit for Application Performance Analysis at Exascale

Publications The International Journal of High Performance Computing Applications

Thermoelectric Grain Boundary in Monolayer MoS2

Publications The Journal of Physical Chemistry C

Impact of Varying BLAS Precision on DCMESH

Publications SC24-W: Workshops of the International Conference for High Performance Computing, Networking, Storage and Analysis

Accelerating Quantum Light-Matter Dynamics on Graphics Processing Units

Publications 2024 IEEE International Parallel and Distributed Processing Symposium Workshops (IPDPSW)

Design of Biphenylene-Derived Tunable Dirac Materials

Publications FlatChem

Atomic Layer Deposition Optimization via Targeted Adaptive Design

Publications 38th Conference on Neural Information Processing Systems

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