METADOCK 2: a high-throughput parallel metaheuristic scheme for molecular docking

B Imbernón, A Serrano, A Bueno-Crespo… - …, 2021 - academic.oup.com
Motivation Molecular docking methods are extensively used to predict the interaction
between protein–ligand systems in terms of structure and binding affinity, through the …

Discovery of novel acetylcholinesterase inhibitors through AI-powered structure prediction and high-performance computing-enhanced virtual screening

B Chafer-Dolz, JM Cecilia, B Imbernón… - RSC …, 2025 - pubs.rsc.org
Virtual screening (VS) methodologies have become key in the drug discovery process but
are also applicable to other fields including catalysis, material design, and, more recently …

RETRACTED ARTICLE: Improved swarm intelligence algorithm for protein folding prediction

S Wang - Cluster Computing, 2019 - Springer
Swarm intelligence algorithm is to simulate the behaviour of groups of organisms to solve
the target problem heuristic search algorithm. This paper briefly describes four swarm …

PathMolD-AB: Spatiotemporal pathways of protein folding using parallel molecular dynamics with a coarse-grained model

LT Hattori, BA Pinheiro, RB Frigori, CMV Benítez… - … Biology and Chemistry, 2020 - Elsevier
Solving the protein folding problem (PFP) is one of the grand challenges still open in
computational biophysics. Globular proteins are believed to evolve from initial configurations …

[КНИГА][B] ADAPTIVE INTELLIGENCE: EVOLUTIONARY COMPUTATION FOR NEXTGEN AI

S Pahune, K Venkateswaranaidu, S Mathur - 2025 - books.google.com
The book is about use of Generative AI in Evolutionary Computation and has the potential
for positive impact and global implications in Adaptive control systems (ACS) are …

Універсальна система автоматизованого тренування та моніторингу моделей Машинного Навчання для SAAS платформи in silico розробки ліків. On-Cloud …

ЗЮ Островський - 2024 - elar.khmnu.edu.ua
Анотація Об'єктом дослідження є автоматизовані пайплайни машинного навчання.
Предметом дослідження є автоматизовані пайплайни машинного навчання для …

A Systematic Map** Study on Applications for Multi-core and Many-core Architectures for Protein Structure Prediction

GR Lopes, ACB Delbem - Escola Regional de Computação do Ceará …, 2019 - sol.sbc.org.br
Proteins are the most abundant organic compounds of living matter and perform essential
functions to the life's process. Given a proteins amino acid sequence, the Protein Structure …

[КНИГА][B] Programación de GPUs: Usando Compute Unified Device Architecture (CUDA)

AG García, SO Escolano, JMC Canales, JG Rodríguez - 2020 - books.google.com
El gran aumento en el rendimiento del hardware gráfico, junto con mejoras recientes en su
programabilidad, han hecho de dicho hardware un referente como plataforma para las …