Results 111 to 120 of about 35,296 (265)

Discriminator‐Guided Inverse Folding for Multi‐Property Protein Design

Advanced Science, EarlyView.
Discriminator‐Guided Inverse Folding (DGIF) integrates multiple property predictors trained from single‐property datasets to guide protein sequence generation from a backbone structure. DGIF enables simultaneous improvement of thermostability and solubility without requiring multi‐property annotated datasets and generates designs that move toward the ...
Yuchuan Zheng, Chuyi Liu, Zhaoming Liu, Mao Su, Chenyu Tang, Xiang Zheng, Hao Zhang, Jingyuan Li   +7 more
wiley   +1 more source

Accelerating The Virtual Brain with code generation and GPU computing [PDF]

BMC Neurosci, 2013
Woodman M, Jirsa V.
europepmc   +1 more source

Pharmacological Inhibition of FKBP51 Mitigates Early Life Adversity‐Induced Social Deficits in Male Mice

Advanced Science, EarlyView.
Early life adversity triggers persistent social subordination and brain‐wide molecular dysregulation. Pharmacological inhibition of the stress‐mediator FKBP51 during the adversity period prevents these long‐term deficits and restores normative social hierarchy.
Joeri Bordes, Xiuqi Ji, Serena Gasperoni, Choham Sudre‐Chinsky, Amirali Kalbasi, Daniela Harbich, Cornelia Flachskamm, Paula Fontanet, Sowmya Narayan, Manfred Uhr, Christian Namendorf, Camilla Bellone, Alon Chen, Felix Hausch, Juan Pablo Lopez, Mathias V. Schmidt   +15 more
wiley   +1 more source

Miscellaneous Topics in Computer-Aided Drug Design: Synthetic Accessibility and GPU Computing, and Other Topics. [PDF]

Curr Pharm Des, 2016
Fukunishi Y, Mashimo T, Misoo K, Wakabayashi Y, Miyaki T, Ohta S, Nakamura M, Ikeda K.   +7 more
europepmc   +1 more source

Learning Moisture‐Induced Damage From Vision: Diffusion Models for Real‐Time Monitoring of Additive Manufacturing Processes

Advanced Science, EarlyView.
We introduce a vision‐based real‐time monitoring system for additive manufacturing that detects subtle moisture‐induced degradation via a diffusion model‐based framework. The approach enables nondestructive assessment of moisture‐induced damage level and mechanical performance and establishes a practical route toward more intelligent, reliable, and ...
Jiyoung Jung, Yuna Yoo, Dharneedar Ravichandran, Dahyun Daniel Lim, Grace X. Gu   +4 more
wiley   +1 more source

Research on multi-heterogeneous hybrid training system for AI computing power scenarios

Dianxin kexue
Large language model training is a pivotal scenario in AI development. Under the trend of diversified and heterogeneous computing power, the cross-ecosystem heterogeneous computing power collaboration capability will become the key support for training ...
LI Panpan, NIU Hongweihua, ZHAO Wanlong, MA Huawei, WANG Yanhui, JIANG Wei, ZHANG Wenxin, LU Yiming, ZHAO Feng   +8 more
doaj  

A Phase‐Resolved Geometric Deep Learning Framework Maps Structural Determinants of Disease‐Associated Protein Aggregation and Guides Suppressor Design

Advanced Science, EarlyView.
SKALE 2.0 maps disease‐associated protein aggregation as a phase‐resolved structural process, linking mutation‐induced geometric perturbations to nucleation, elongation, and suppressor design. Across neurodegenerative proteins, the framework reveals cryptic aggregation vulnerabilities, separates phase‐concordant and phase‐switching mutations, and ...
Jia Shen Sio, Wei Xuan Wilson Loo, Yan Shan Loo, Wen Xin Tan, Hui Xuan Lim, Huitao Liu, Chen Seng Ng   +6 more
wiley   +1 more source

An exciting Approach to Theoretical Spectroscopy

Advanced Science, EarlyView.
ABSTRACT Theoretical spectroscopy, and more generally, electronic‐structure theory, are powerful concepts for describing the complex many‐body interactions in materials. They cover methods from ground‐state properties to lattice excitations and light‐matter interaction, including time‐resolved variants.
Martí Raya‐Moreno, Alexander Buccheri, Noah Alexy Dasch, Nasrin Farahani, Ignacio Gonzalez Oliva, Andris Gulans, Seokhyun Hong, Manoar Hossain, Hannah Kleine, Martin Kuban, Sven Lubeck, Benedikt Maurer, Pasquale Pavone, Fabian Peschel, Daria Popova‐Gorelova, Lu Qiao, Elias Richter, Santiago Rigamonti, Ronaldo Rodrigues Pela, Maximilian Schebek, Kshitij Sinha, Daniel T. Speckhard, Jan Stutz, Sebastian Tillack, Dmitry Tumakov, Jānis Užulis, Mara Voiculescu, Cecilia Vona, Mao Yang, Claudia Draxl   +29 more
wiley   +1 more source

Physics‐Informed Neural Network‐Enabled Forward Prediction and Inverse Design of Ring Origami

Advanced Science, EarlyView.
This work presents a KRT‐PINN framework that integrates Kirchhoff rod theory with physics‐informed neural networks for the forward prediction and inverse design of ring origami consisting of closed‐loop rods. The framework predicts stable states of segmented rings with prescribed natural‐curvature profiles and determines the natural‐curvature profiles ...
Luyuan Ning, Lu Lu, Sophie Leanza, Ruike Renee Zhao   +3 more
wiley   +1 more source

GPU@BU—GPU computing at Boston University

, 2012
A short history of GPU computing at Boston University, made into a handout for the BU booth at the Supercomputing Conference, Salt Lake City, November 2012.
openaire   +1 more source