Results 211 to 220 of about 521,782 (354)

Efficient query processing in geographic web search engines

open access: yesSIGMOD Conference, 2006
Yen-Yu Chen   +2 more
semanticscholar   +1 more source

Generating Dynamic Structures Through Physics‐Based Sampling of Predicted Inter‐Residue Geometries

open access: yesAdvanced Science, EarlyView.
While static structure prediction has been revolutionized, modeling protein dynamics remains elusive. trRosettaX2‐Dynamics is presented to address this challenge. This framework leverages a Transformer‐based network to predict inter‐residue geometric constraints, guiding conformation generation via physics‐based iterative sampling. The resulting method
Chenxiao Xiang   +3 more
wiley   +1 more source

Substituent‐Based Modulation of Self‐Assembly and Immunogenicity of Amphipathic Peptides

open access: yesAdvanced Science, EarlyView.
This study systematically investigates how positional and subtle changes, such as substituents on the phenyl ring attached to short amphipathic peptides, influence their self‐assembly, fibril morphology, and immunogenic responses. ABSTRACT Self‐assembled peptide‐based biomaterials provide versatile platforms for biomedical uses, featuring customizable ...
Anirban Das   +13 more
wiley   +1 more source

On Having Search Engines Deliver Hierarchies of Web Pages. [PDF]

open access: bronze, 2008
Ok-Ran Jeong   +3 more
openalex   +1 more source

Ligand‐Induced Electronic Response Enables Predictive QM/MM Simulations

open access: yesAdvanced Science, EarlyView.
Quantum mechanics/molecular mechanics (QM/MM) simulations are powerful tools for modeling complex molecular systems; however, their predictability has been constrained by the ambiguous definition of the QM region. An electronically informed protocol is introduced that defines QM regions by quantifying guest‐induced orbital shifts and charge ...
Nichika Ozawa   +2 more
wiley   +1 more source

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