Results 141 to 150 of about 48,067 (311)
High-throughput antibody sequence alignment based on GPU computing
, 2012 Conference Name:27th Annual ACM Symposium on Applied Computing, SAC 2012. Conference Address: Trento, Italy. Time:March 26, 2012 - March 30, 2012.ACM Special Interest Group on Applied Computing (SIGAPP); Provincia Autonoma di Trento; Riva del Garda ...
吉国力 +8 more
core
AI‐Designed Cyclic Peptides Enable Controllable Modulation of the CD28 Immune Checkpoint
Advanced Science, EarlyView.AI‐designed cyclic peptides enable controllable modulation of the CD28 immune checkpoint through reversible disruption of CD28‐CD80/CD86 interactions. The lead peptide, CIP‐3, suppresses T‐cell activation without intrinsic agonist activity, demonstrates dose‐dependent efficacy in a murine colitis model, and attenuates inflammatory cytokine production ...
Katarzyna Kuncewicz +4 more
wiley +1 more source
The Dynamo package for tomography and subtomogram averaging: components for MATLAB, GPU computing and EC2 Amazon Web Services. [PDF]
Acta Crystallogr D Struct Biol, 2017 Castaño-Díez D.
europepmc +1 more source
The hardware accelerator debate : a financial risk case study using many-core computing
, 2015 The risk of reinsurance portfolios covering globally occurring natural catastrophes, such as earthquakes and hurricanes, is quantified by employing simulations.
Blesson Varghesea, Varghese, Blesson
core +1 more source
Automated Extraction of Multicomponent Alloy Data Using Large Language Models for Sustainable Design
Advanced Science, EarlyView.A large language model (LLM) based pipeline is developed to automatically extract a comprehensive and accurate multicomponent alloy database from literature corpus. The extracted dataset is integrated with sustainability indicators to identify potential alloys that outperform existing industrial benchmark materials in terms of both performance and ...
Aravindan Kamatchi Sundaram +4 more
wiley +1 more source
A Framework for Megascale Agent Based Model Simulations on Graphics Processing Units [PDF]
Agent-based modeling is a technique for modeling dynamic systems from the bottom up. Individual elements of the system are represented computationally as agents.
Roshan M. D'Souza, Mikola Lysenko
core
Advanced Science, EarlyView.Antimicrobial resistance caused by Gram‐negative bacteria remains difficult to overcome due to the protective outer membrane. To address this challenge, a multi‐condition constrained generative AI framework, GenMTAMP is proposed for de novo membrane‐targeting antimicrobial peptide design by integrating physicochemical and spatial structure descriptors.
Jingxiao Yu +5 more
wiley +1 more source
Advanced Science, EarlyView.This study proposed a unified sequence‐based framework for protein binding site prediction, which adopted a tri‐track semantic multi‐source feature fusion strategy to effectively capture diverse macromolecular interaction sites and further improved the accuracy of antibody‐antigen interaction prediction.
Dongliang Hou +8 more
wiley +1 more source
GPU-enabled steady-state solution of large Markov models [PDF]
, 2010 We describe a novel parallel steady-state solver that uses NVIDIA's Compute Unified Device Architecture (CUDA) library to perform calculations on a graphics processing unit (GPU).
Dingle, Nicholas J. +2 more
core
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 +7 more
wiley +1 more source