Sage Journals: Discover world-class research

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Research article

First published 2016-12

Discrete event performance prediction of speculatively parallel temperature-accelerated dynamics

Richard J Zamora, Arthur F Voter, Danny Perez [...]

SIMULATION

Open access

Research article

First published 2012

Molecular Dynamics Simulations of Pressure-Driven Flows and Comparison with Acceleration-Driven Flows

Quy Dong To, Thanh Tung Pham, Guy Lauriat [...]

Advances in Mechanical Engineering

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Research article

First published 2021-7

GPU-accelerated molecular dynamics: State-of-art software performance and porting from Nvidia CUDA to AMD HIP

Nikolay Kondratyuk, Vsevolod Nikolskiy, Daniil Pavlov [...]

The International Journal of High Performance Computing Applications

Open access

Research article

First published 2021-9

AI-driven multiscale simulations illuminate mechanisms of SARS-CoV-2 spike dynamics

Lorenzo Casalino, Abigail C Dommer, Zied Gaieb [...]

The International Journal of High Performance Computing Applications

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Research article

First published 2004-7

A Faster Approach to Infrared Rheo-Optics Using a Planar Array Infrared Spectrograph

Christian Pellerin, Simon Frisk, John F. Rabolt [...]

Applied Spectroscopy

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Research article

First published 2021-09

Phytoconstituents and Medicinal Plants for Anticancer Drug Discovery: Computational Identification of Potent Inhibitors of PIM1 Kinase

Farah Anjum, Taj Mohammad, Abdulraheem Ali Almalki [...]

OMICS: A Journal of Integrative Biology

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Research article

First published 2020-7

Model-driven design of bioactive glasses: from molecular dynamics through machine learning

Maziar Montazerian, Edgar D. Zanotto, John C. Mauro

International Materials Reviews

Open access

Research article

First published 2025

Identification of Potent HDAC6 Inhibitors for Breast Cancer Through Multi-Stage In Silico Modeling

Vaishali Pankaj, Inderjeet Bhogal, Sudeep Roy

Bioinformatics and Biology Insights

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Research article

First published 2019-9

Experimental and analytical study on sliding vibration of a solid body

Hakan Yerlikaya, Satsuya Soda

Journal of Vibration and Control

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Research article

First published 2023-3

Assessment,improvement,and comparison of different computational tools used for the simulation of heat transport in nanostructures

EA Bea, A Mancardo Viotti, MF Carusela [...]

SIMULATION

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