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74 积分 2024-04-27 加入
Bacteriophage-like Nanobiocatalysts with Spiky Topography and Dual-Atom Sites for Treating Drug-Resistant Bacteria
1小时前
已完结
Enzyme Tunnel Dynamics and Catalytic Mechanism of Norcoclaurine Synthase: Insights from a Combined LiGaMD and DFT Study
3天前
已完结
Overcoming Free-Energy Barriers with a Seamless Combination of a Biasing Force and a Collective Variable-Independent Boost Potential
5天前
已完结
Polystyrene-Induced Dehydration of Lipid Membranes: Insights from Atomistic Simulations
6天前
已完结
Self-Assembled Ion Transport Channels in Block Copolymer Electrolytes for Dendrite-Free All-Solid-State Sodium Batteries
16天前
已完结
A Generic Force Field for Simulating Native Protein Structures Using Dissipative Particle Dynamics
17天前
已完结
Dissipative particle dynamics for coarse-grained models
18天前
已完结
Peptide Gaussian accelerated molecular dynamics (Pep-GaMD): Enhanced sampling and free energy and kinetics calculations of peptide binding
22天前
已完结
Protein–Protein Interaction-Gaussian Accelerated Molecular Dynamics (PPI-GaMD): Characterization of Protein Binding Thermodynamics and Kinetics
24天前
已完结
Gaussian Accelerated Molecular Dynamics in OpenMM
24天前
已完结
Deformation mechanism of the (β + α”) dual-phase Ti-42Zr-13Nb alloy exhibiting an abnormal work-hardening behavior
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