Wyniki wyszukiwania dla: COMPUTATIONAL SCIENCE

• Hybrid Obfuscation Technique for Reverse Engineering Problems

  Publikacja

  • A. Mahfoud
  • A. Md.
  • A. Azim
  • N. Mohd
  • N. Admodisastro

  - Journal of Computer Science & Computational Mathematics - Rok 2020

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• Establishing the allosteric mechanism in CRISPR‐Cas9

  Publikacja

  • Ł. Nierzwicki
  • P. R. Arantes
  • A. Saha
  • G. Palermo

  - Wiley Interdisciplinary Reviews-Computational Molecular Science - Rok 2021

  Allostery is a fundamental property of proteins, which regulates biochemical information transfer between spatially distant sites. Here, we report on the critical role of molecular dynamics (MD) simulations in discovering the mechanism of allosteric communication within CRISPR‐Cas9, a leading genome editing machinery with enormous promises for medicine and biotechnology. MD revealed how allostery intervenes during at least three...

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• Pre‐exascale HPC approaches for molecular dynamics simulations. Covid‐19 research: A use case

  Publikacja

  • M. Wieczór
  • V. Genna
  • J. Aranda
  • R. M. Badia
  • J. L. Gelpí
  • V. Gapsys
  • B. L. de Groot
  • E. Lindahl
  • M. Municoy
  • A. Hospital
  • M. Orozco

  - Wiley Interdisciplinary Reviews-Computational Molecular Science - Rok 2023

  Exascale computing has been a dream for ages and is close to becoming a reality that will impact how molecular simulations are being performed, as well as the quantity and quality of the information derived for them. We review how the biomolecular simulations field is anticipating these new architectures, making emphasis on recent work from groups in the BioExcel Center of Excellence for High Performance Computing. We exemplified...

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• Computer aided materials design of PM duplex stainless steels

  Publikacja

  • L. Dobrzanski
  • Z. Brytan
  • M. Grande
  • M. Rosso

  - International Journal of Computational Materials Science and Surface Engineering - Rok 2007

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• On the importance of volume of eroded material for cavitation erosion

  Publikacja

  • M. Szkodo

  - International Journal of Computational Materials Science and Surface Engineering - Rok 2007

  W pracy przedstawiono model matematyczny opisujący wpływ objętości erodowanego materiału na przebieg krzywych erozji kawitacyjnej

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• Journal of Applied and Computational Mechanics

  Czasopisma

  ISSN: 2383-4536

• JOURNAL OF COMPUTATIONAL CHEMISTRY

  Czasopisma

  ISSN: 0192-8651 , eISSN: 1096-987X

• PLoS Computational Biology

  Czasopisma

  ISSN: 1553-7358 , eISSN: 1553-734X

• Molecular dynamics and verisimilitude - to what extent can one trust a computational simulation?

  Publikacja

  • A. Miszkiel
  • M. Wojciechowski
  • S. Milewski

  - Rok 2012

  For the last several tens of years, computer simulations have become of undeniable importance. Molecular Dynamics (MD) simulation techniques are used to examine the phenomena which occur at the level that cannot be observed directly. Thus, they can be successfully exploited in many different scientific fields such as: materials science, applied mathematics and theoretical physics, biochemistry, biophysics or drug design. Despite...

• Computational methods for calculation of binding free energy for ligand-receptor complexes

  Publikacja

  • A. Miszkiel

  - Rok 2011

  Accurate description of the molecular complexes energetic influence is required for understanding of many biological functions carried out by proteins. Therefore, estimation of binding free energy for ligand-receptor complexes is of highest importance for structure-based ligand design and drug discovery approaches.Experimental methods of determination of difference in Gibbs'es free energy have many limitations. Thus, computational...

• Computational Economics

  Czasopisma

  ISSN: 0927-7099 , eISSN: 1572-9974

• COMPUTATIONAL STATISTICS

  Czasopisma

  ISSN: 0943-4062 , eISSN: 1613-9658

• Computational Linguistics

  Czasopisma

  ISSN: 0891-2017 , eISSN: 1530-9312

• COMPUTATIONAL COMPLEXITY

  Czasopisma

  ISSN: 1016-3328 , eISSN: 1420-8954

• Computational Toxicology

  Czasopisma

  ISSN: 2468-1113

• COMPUTATIONAL MECHANICS

  Czasopisma

  ISSN: 0178-7675 , eISSN: 1432-0924

• DISCRETE & COMPUTATIONAL GEOMETRY

  Czasopisma

  ISSN: 0179-5376 , eISSN: 1432-0444

• COMPUTATIONAL & APPLIED MATHEMATICS

  Czasopisma

  ISSN: 0101-8205 , eISSN: 1807-0302

• Journal of Computational Electronics

  Czasopisma

  ISSN: 1569-8025 , eISSN: 1572-8137

• Computational Intelligence and Neuroscience

  Czasopisma

  ISSN: 1687-5265 , eISSN: 1687-5273

• Journal of Computational Finance

  Czasopisma

  ISSN: 1460-1559 , eISSN: 1755-2850

• Journal of Computational Geometry

  Czasopisma

  ISSN: 1920-180X

• REVIEWS IN COMPUTATIONAL CHEMISTRY

  Czasopisma

  ISSN: 1069-3599

• BIOINFO Computational Mathematics

  Czasopisma

  ISSN: 2249-7099

• Computational Condensed Matter

  Czasopisma

  ISSN: 2352-2143

• Advances in Computational Design

  Czasopisma

  ISSN: 2383-8477 , eISSN: 2466-0523

• Advances in Computational Research

  Czasopisma

  ISSN: 0975-3273

• Computational Thermal Sciences

  Czasopisma

  ISSN: 1940-2503 , eISSN: 1940-2554

• BIOINFO Computational Optimization

  Czasopisma

  ISSN: 2249-5533

• Journal of Computational Linguistics

  Czasopisma

  ISSN: 2249-2828

• Frontiers in Computational Neuroscience

  Czasopisma

  ISSN: 1662-5188

• npj Computational Materials

  Czasopisma

  ISSN: 2057-3960

• Computational Visual Media

  Czasopisma

  ISSN: 2096-0433

• Computational Social Networks

  Czasopisma

  eISSN: 2197-4314

• Applied and Computational Mechanics

  Czasopisma

  ISSN: 1802-680X

• Journal of Computational Dynamics

  Czasopisma

  eISSN: 2158-2505

• Computational Mathematics and Modeling

  Czasopisma

  ISSN: 1046-283X

• Computational Brain and Behavior

  Czasopisma

  eISSN: 2522-087X

• Computational and Mathematical Methods

  Czasopisma

  eISSN: 2577-7408

• Computational and Mathematical Biophysics

  Czasopisma

  eISSN: 2544-7297

• JOURNAL OF COMPUTATIONAL NEUROSCIENCE

  Czasopisma

  ISSN: 0929-5313 , eISSN: 1573-6873

• Mathematical and Computational Applications

  Czasopisma

  ISSN: 1300-686X , eISSN: 2297-8747

• Computational Continuum Mechanics

  Czasopisma

  ISSN: 1999-6691

• JOURNAL OF COMPUTATIONAL MATHEMATICS

  Czasopisma

  ISSN: 0254-9409 , eISSN: 1991-7139

• Applied and Computational Mathematics

  Czasopisma

  ISSN: 1683-3511 , eISSN: 1683-6154

• Journal of Computational Technologies

  Czasopisma

  ISSN: 1560-7534 , eISSN: 2313-691X

• Theoretical and Computational Chemistry

  Czasopisma

  ISSN: 1380-7323

• Journal of Computational Geometry

  Czasopisma

  eISSN: 1920-189X

• Julien Guthmuller prof. dr hab.

  Osoby

  Zakład Metod Obliczeniowych Fizyki Chemicznej, Instytut Fizyki i Informatyki Stosowanej

• FOUNDATIONS OF COMPUTATIONAL MATHEMATICS

  Czasopisma

  ISSN: 1615-3375 , eISSN: 1615-3383