Search Results - Simulation and Modeling—Simulation Output Analysis Keywords Molecular Simulation

Molecular modeling and simulation approaches to characterize potential molecular targets for burdock inulin to instigate protection against autoimmune diseases.

Authors: Hashmi, Huma Farooque Xuan, Xu Chen, Kaoshan et al.

Source: Scientific Reports; 5/17/2024, Vol. 14 Issue 1, p1-13, 13p

Subject Terms: INULIN, DRUG target, AUTOIMMUNE diseases, PRINCIPAL components analysis, MOTION analysis, BINDING energy

The molecular simulation of sulfate adsorption on hematite and other red mud clusters: Kinetic and thermodynamic modelling study.

Authors: Rahimi, Shima Irannajad, Mehdi

Source: Environmental Engineering Research; Jun2025, Vol. 30 Issue 3, p1-11, 11p

Subject Terms: HEMATITE crystals, ACID mine drainage, THERMODYNAMICS, WATER acidification, METALLIC oxides

Efficient SDH Computation In Molecular Simulations Data

Authors: Yi-cheng Tu Shaoping Chen Sagar P et al.

Contributors: Yi-cheng Tu Shaoping Chen Sagar P et al.

Source: http://www.cse.usf.edu/~ytu/pub/BCB12.pdf.

Subject Terms: Categories and Subject Descriptors I.6.6 [Computing Methodologies, Simulation and Modeling—Simulation Output Analysis Keywords Molecular Simulation, Radial Distribution Function, Spatial Distance Histogram, Structural Biology, Protein Structure Copyright is held by author/owner(s

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Relation: http://citeseerx.ist.psu.edu/viewdoc/summary?doi=10.1.1.298.4238; http://www.cse.usf.edu/~ytu/pub/BCB12.pdf

Availability: http://citeseerx.ist.psu.edu/viewdoc/summary?doi=10.1.1.298.4238
http://www.cse.usf.edu/~ytu/pub/BCB12.pdf

Molecular Simulation of the Water Diffusion Behavior and Electronic Properties of Boron-Nitride-Composited Mineral Oil.

Authors: Wang, Yang Yan, Wenchao Cui, Kunqi et al.

Source: Molecules; Sep2024, Vol. 29 Issue 18, p4500, 22p

Subject Terms: INSULATING oils, POTENTIAL barrier, MINERAL oils, DENSITY functional theory, POWER transformers, CARBON nanotubes

A scoping review on bovine tuberculosis highlights the need for novel data streams and analytical approaches to curb zoonotic diseases.

Authors: Conteddu, Kimberly English, Holly M. Byrne, Andrew W. et al.

Source: Veterinary Research. 5/21/2024, Vol. 55 Issue 1, p1-21. 21p.

Subjects: Tuberculosis in cattle, Zoonoses, Wildlife diseases, Human settlements, Infectious disease transmission, Cattle herding

Pharmacokinetic and Pharmacodynamic Modeling of Enrofloxacin and Its Metabolite Ciprofloxacin in Pregnant Goats.

Authors: Ambros, Luis Adrian Kreil, Verónica de Lucas Burneo, José Julio et al.

Source: Veterinary Sciences. Jun2025, Vol. 12 Issue 6, p588. 15p.

Molecular dynamics analysis of biomolecular systems including nucleic acids.

Authors: Takeru Kameda Akinori Awazu Yuichi Togashi

Source: Biophysics & Physicobiology; 2022, Vol. 19, p1-18, 18p

Subject Terms: MOLECULAR dynamics, MOLECULAR biology, NUCLEIC acids, STRUCTURAL dynamics, GENETIC regulation, NUCLEOTIDES, AMINO acids

Dynamic Molecular Simulation of Polyethylene/Organoclay Nanocomposites for Their Physical Properties and Foam Morphology.

Authors: Sharudin, Rahida Wati Md Azmi, Nik Salwani Hanizan, Anuaruddin et al.

Source: Materials (1996-1944); Apr2023, Vol. 16 Issue 8, p3122, 14p

Subject Terms: ORGANOCLAY, DYNAMIC simulation, POLYETHYLENE, INTERFACIAL tension, NANOCOMPOSITE materials, OPTICAL properties, DYNAMIC models, FOAM

Molecular Simulation of Adsorption and Diffusion of Methane and Ethane in Kaolinite Clay under Supercritical Conditions: Effects of Water and Temperature.

Authors: Li, De-Yang Liu, Dong-Mei Hu, Hong-Kui et al.

Source: Minerals (2075-163X); Oct2023, Vol. 13 Issue 10, p1269, 17p

Subject Terms: ETHANES, WATER temperature, SUPERCRITICAL water, ADSORPTION capacity, KAOLINITE, ADSORPTION (Chemistry), TEMPERATURE effect

Biological Synthesis of Copper Nanoparticles Using Edible Plant Allium monanthum : Characterization of Antibacterial, Antioxidant, and Anti-Inflammatory Properties Using In Silico Molecular Docking Analysis.

Authors: Han, Hyo Shim Jung, Jeong Sung Jeong, Young-Il et al.

Source: Materials (1996-1944); Oct2023, Vol. 16 Issue 20, p6669, 16p

Subject Terms: BIOSYNTHESIS, MOLECULAR docking, EDIBLE plants, EDIBLE coatings, ESCHERICHIA coli, ALLIUM, PATHOGENIC bacteria

Mechanical Design and Simulation: Exploring Innovations for the Future

Authors: Duc Truong Pham Yaguo Lei Yanshan Lou

Resource Type: eBook.

Subjects: Engineering design--Congresses

Categories: TECHNOLOGY & ENGINEERING / Industrial Design / General, BUSINESS & ECONOMICS / Management, COMPUTERS / Artificial Intelligence / General

ON THE COMPATIBILITY OF SHARP AND DIFFUSE INTERFACES OUT OF EQUILIBRIUM.

Authors: KLIKA, VÁCLAV ÖTTINGER, HANS CHRISTIAN

Source: Multiscale Modeling & Simulation; 2024, Vol. 22 Issue 1, p369-405, 37p

Subject Terms: NONEQUILIBRIUM thermodynamics, EQUILIBRIUM, MOLECULAR dynamics, DYNAMIC simulation, ENERGY density

Tools and Algorithms for the Construction and Analysis of Systems : 30th International Conference, TACAS 2024, Held As Part of the European Joint Conferences on Theory and Practice of Software, ETAPS 2024, Luxembourg City, Luxembourg, April 6–11, 2024, Proceedings, Part II

Authors: Bernd Finkbeiner Laura Kovács

Resource Type: eBook.

Subjects: System design--Congresses, Computer software--Verification--Congresses, System analysis--Congresses

Categories: COMPUTERS / Computer Science, COMPUTERS / Networking / General, COMPUTERS / Software Development & Engineering / General, COMPUTERS / Hardware / General, COMPUTERS / Computer Simulation

Alternative measures to evaluate the accuracy and bias of genomic predictions with censored records.

Authors: Magela da Cruz Pereira, Geraldo Martins Filho, Sebastião Veroneze, Renata et al.

Source: Acta Scientiarum: Animal Sciences. 2023, Issue 45, p1-12. 12p.

Subjects: Pearson correlation (Statistics), Forecasting, Censoring (Statistics), Latent variables, Statistical models, Heritability, Percentiles

BEVA primary care clinical guidelines: Equine parasite control.

Authors: Rendle, David Hughes, Kristopher Bowen, Mark et al.

Source: Equine Veterinary Journal. May2024, Vol. 56 Issue 3, p392-423. 32p.

High-Performance Modelling and Simulation for Big Data Applications : Selected Results of the COST Action IC1406 CHiPSet

Authors: Joanna Kołodziej Horacio González-Vélez

Resource Type: eBook.

Subjects: Computer science, Computer Communication Networks, Computer system performance, Operating systems (Computers), Logic design

Categories: COMPUTERS / Computer Architecture, COMPUTERS / Business & Productivity Software / General, COMPUTERS / Logic Design, COMPUTERS / Networking / General, COMPUTERS / Operating Systems / General

Visualization of Biomolecular Structures: State of the Art Revisited.

Authors: Kozlíková, B. Krone, M. Falk, M. et al.

Source: Computer Graphics Forum; Dec2017, Vol. 36 Issue 8, p178-204, 27p, 13 Color Photographs, 1 Black and White Photograph, 2 Diagrams

Subject Terms: VISUALIZATION, BIOMOLECULES, GEOMETRY, COMPUTERS, TAXONOMY, BIOINFORMATICS

Computational Physiology : Simula Summer School 2021 − Student Reports

Authors: Kimberly J. McCabe

Resource Type: eBook.

Subjects: Physiology--Computer simulation--Congresses, Physiology--Data processing--Congresses

Categories: MATHEMATICS / Applied, COMPUTERS / Computer Science, TECHNOLOGY & ENGINEERING / Biomedical, MATHEMATICS / Numerical Analysis

Computational Modelling of Concrete Structures : Proceedings of the Conference on Computational Modelling of Concrete and Concrete Structures (EURO-C 2018), February 26 - March 1, 2018, Bad Hofgastein, Austria

Authors: Günther Meschke Bernhard Pichler Jan Rots

Resource Type: eBook.

Subjects: Structural analysis (Engineering)--Data processing--Congresses, Computer-aided design--Congresses, Concrete--Computer simulation--Congresses, Concrete construction--Mathematical models--Congresses, Concrete construction--Data processing--Congresses

Categories: TECHNOLOGY & ENGINEERING / Civil / General, TECHNOLOGY & ENGINEERING / Structural

Discovering dynamic models of COVID‐19 transmission.

Authors: Liang, Jinwen Zhang, Xueliang Wang, Kai et al.

Source: Transboundary & Emerging Diseases. Jul2022, Vol. 69 Issue 4, pe64-e70. 7p.