Results 81 to 90 of about 87,048 (263)

Shenfun -- automating the spectral Galerkin method

, 2017
With the shenfun Python module (github.com/spectralDNS/shenfun) an effort is made towards automating the implementation of the spectral Galerkin method for simple tensor product domains, consisting of (currently) one non-periodic and any number of ...
Mortensen, Mikael
core  

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

Advanced 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, Wenkai Wang, Zhenling Peng, Jianyi Yang   +3 more
wiley   +1 more source

Numba-MPI v1.0: Enabling MPI communication within Numba/LLVM JIT-compiled Python code

SoftwareX
The numba-mpi package offers access to the Message Passing Interface (MPI) routines from Python code that uses the Numba just-in-time (JIT) compiler. As a result, high-performance and multi-threaded Python code may utilize MPI communication facilities ...
Kacper Derlatka, Maciej Manna, Oleksii Bulenok, David Zwicker, Sylwester Arabas   +4 more
doaj   +1 more source

Effectiveness of Pre‐Transplant Dual GLP‐1 Receptor Agonist and SGLT2 Inhibitor Therapy on All‐Cause Mortality in Organ Transplantation Candidates with Obesity and Type 2 Diabetes: a Target‐Trial Emulation

Advanced Science, EarlyView.
This target trial emulation in solid organ transplant candidates with obesity and type 2 diabetes evaluates whether pre‐transplant dual therapy with GLP‐1 receptor agonists plus SGLT2 inhibitors is associated with post‐transplant mortality and kidney graft outcomes compared with monotherapy or usual care, using multinational electronic health records ...
Yu‐Nan Huang, Min‐Yu Tsou, Pin‐Hung Li, Jo‐Ching Chen, Yen‐Liang Liu, Gideon Meyerowitz‐Katz, Tsung‐Hsun Tsai, Pen‐Hua Su   +7 more
wiley   +1 more source

iamxt: Max-tree toolbox for image processing and analysis

SoftwareX, 2017
The iamxt is an array-based max-tree toolbox implemented in Python using the NumPy library for array processing. It has state of the art methods for building and processing the max-tree, and a large set of visualization tools that allow to view the tree ...
Roberto Souza, Letícia Rittner, Rubens Machado, Roberto Lotufo   +3 more
doaj   +1 more source

Systematically Engineering for Efficient Production of 3‐Methyl‐1‐Butanol in Escherichia coli

Advanced Science, EarlyView.
An integrated metabolic engineering strategy was established for high‐level 3‐methyl‐1‐butanol biosynthesis in Escherichia coli. Molecular dynamics‐guided semi‐rational engineering of dihydroxyacid dehydratase uncovered and relieved key catalytic bottlenecks, while adaptive laboratory evolution enhanced strain robustness.
Nanfei Geng, Hao Liu, Haolin Han, Meng Meng, Shaojie Wang, Tianwei Tan, Haijia Su   +6 more
wiley   +1 more source

Selectivity Filter Dynamics Define Ion Conductance and Selectivity Differences in CNG and HCN Channels

Advanced Science, EarlyView.
Cyclic nucleotide‐gated (CNG) and hyperpolarization‐activated cyclic nucleotide‐gated (HCN) channels share substantial sequence and structural similarity but differ markedly in ion conductance and K+ selectivity. Microsecond‐scale atomistic MD simulations qualitatively reproduced the conductance differences observed in single‐channel recordings and ...
Haoran Liu, Klaus Benndorf, Yessenbek K. Aldakul, Han Sun   +3 more
wiley   +1 more source

High‐Brightness, Wide‐Gamut, and High‐Resolution Structural Colors via Ultrafast Laser Oxidation of Ti/TiO2 Films

Advanced Science, EarlyView.
Ultrafast laser writing on titanium (Ti)–titanium dioxide (TiO2)–Ti sandwich films triggers controllable oxidation (〉200 nm) to create vivid, durable structural colors. The colors reach 〉 80% of the standard RGB (sRGB) gamut, up to 60% peak reflectance, and 30,000 dots per inch (DPI) resolution for art and anti‐counterfeiting.
Ruiyi Chen, Wei Lyu, Xiaoyu Sun, Haojie Zheng, Yiheng Chen, Min Qiu   +5 more
wiley   +1 more source

ML Workflows for Screening Degradation‐Relevant Properties of Forever Chemicals

Advanced Science, EarlyView.
The environmental persistence of per‐ and polyfluoroalkyl substances (PFAS) necessitates efficient remediation strategies. This study presents physics‐informed machine learning workflows that accurately predict critical degradation properties, including bond dissociation energies and polarizability.
Pranoy Ray, Andrew R. Castillo, Manoj Kolel‐Veetil, Surya R. Kalidindi   +3 more
wiley   +1 more source

Process Monitoring and Control in Dermatological Diagnosis: A Deep Learning Approach Using Python, NumPy, Pandas, Keras, and TensorFlow

Proceedings
This paper delves into integrating machine learning techniques into dermatological diagnostics, specifically focusing on identifying and evaluating skin diseases [...]
Neelamadhab Padhy, T. Bhubaneswari, Sushree Sangita Das, Meetali Sinha   +3 more
doaj   +1 more source