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Research article

First published 2004-8

Reliable results for the Isotropic Dipole – Dipole and Triple – Dipole Dispersion Energy Coefficients for Interactions involving Formaldehyde,Acetaldehyde,Acetone,and Mono -,Di -,and Tri - Methylamine

Ashok Kumar, William J. Meath

Journal of Computational Methods in Sciences and Engineering

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Other

First published 2004-05

Performance Models on QCDOC for Molecular Dynamics with Coulomb Potentials

Y. Deng, J. Glimm, J. W. Davenport [...]

The International Journal of High Performance Computing Applications

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Research article

First published 2006-2

Multi-Scale Analysis of the Toraymyxin Adsorption Cartridge Part I: Molecular Interaction of Polymyxin B with Endotoxins

S. Vesentini, M. Soncini, A. Zaupa [...]

The International Journal of Artificial Organs

Open access

Research article

First published 2016

PDBparam: Online Resource for Computing Structural Parameters of Proteins

R. Nagarajan, A. Archana, A. Mary Thangakani [...]

Bioinformatics and Biology Insights

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Research article

First published 1994-03

Supercomputing Studies of Biomembranes

Terry R. Stouch, Howard E. Alper, Donna Bassolino-Klimas

The International Journal of High Performance Computing Applications

Open access

Review article

First published 2025-11

Mechanochromic polymers based on supramolecular mechanophores

Christoph Weder

Journal of Intelligent Material Systems and Structures

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Research article

First published 2021-11

Enabling particle applications for exascale computing platforms

Susan M Mniszewski, James Belak, Jean-Luc Fattebert [...]

The International Journal of High Performance Computing Applications

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Research article

First published 2026-4

Computational Prediction and In Vitro Validation of Potential Molecular Targets Associated with Adverse Reactions of Antimicrobial Drugs in Neonates

Xiaojuan He, Rui Jing, Na Wu [...]

ASSAY and Drug Development Technologies

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Review article

First published 2020-1

Microbial Interactions in Oral Communities Mediate Emergent Biofilm Properties

P.I. Diaz, A.M. Valm

Journal of Dental Research

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Research article

First published 2019-10

Modeling dislocations and heat conduction in crystalline materials: atomistic/continuum coupling approaches

Shuozhi Xu, Xiang Chen

International Materials Reviews

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