• Macromolecular Theory and Simulations is a peer-reviewed scientific journal covering polymer science. It publishes Reviews, Feature Articles, Communications...
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  • and Engineering Macromolecular Rapid Communications Macromolecular Reaction Engineering Macromolecular Theory and Simulations Materials Materials and...
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  • Macromolecular Rapid Communications, 1979 Macromolecular Theory and Simulations, 1992 Macromolecular Materials and Engineering, 2000 Macromolecular Bioscience...
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  • Thumbnail for Smoluchowski coagulation equation
    "Population Balance Modeling of Aggregation and Coalescence in Colloidal Systems" (PDF). Macromolecular Theory and Simulations. 23 (3): 170. doi:10.1002/mats.201300140...
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  • Macromolecular Chemistry and Physics, 1947 Macromolecular Theory and Simulations, 1992 Macromolecular Materials and Engineering, 2000 Macromolecular Bioscience...
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  • Thumbnail for Monte Carlo method
    {\displaystyle n} simulations and averaging the simulations' results. It has no restrictions on the probability distribution of the inputs to the simulations, requiring...
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    jet splitting—toward predicting fiber diameter and its distribution". Macromolecular Theory and Simulations. 28 (4): 1900006. doi:10.1002/mats.201900006...
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  • Fractal dimension (category Chaos theory)
    "Population Balance Modeling of Aggregation and Coalescence in Colloidal Systems". Macromolecular Theory and Simulations. 23 (3): 170–181. doi:10.1002/mats.201300140...
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  • are the theoretic simulations of proteins, particularly Intrinsically disordered proteins (IDPs), driving LLPS. These simulations are complementary to...
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  • Chemistry at Harvard Macromolecular Mechanics (CHARMM) is the name of a widely used set of force fields for molecular dynamics, and the name for the molecular...
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  • Thumbnail for Biopython
    Biopython (category Official website different in Wikidata and Wikipedia)
    disequilibrium and other features of a population's allele frequencies. This module can also carry out population genetic simulations using coalescent theory with...
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  • The Kirkwood–Buff (KB) solution theory, due to John G. Kirkwood and Frank P. Buff, links macroscopic (bulk) properties to microscopic (molecular) details...
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  • (March 2018). "A Continuum Model of Mucosa with Glycan-Ion Pairing". Macromolecular Theory and Simulations. 27 (2): 1700079. doi:10.1002/mats.201700079....
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  • Thumbnail for Knotted polymers
    Normal ATRP, Normal ATRP with [Cu ], Reverse ATRP and SR&NI ATRP". Macromolecular Theory and Simulations. 17 (7–8): 359–375. doi:10.1002/mats.200800050....
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  • Thumbnail for Syma Khalid
    2021-03-08. Khalid, Syma (2004). Molecular simulation studies of the interaction between DNA and a novel macromolecular ligand (Thesis). OCLC 921024285. "Science...
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  • Thumbnail for Flory–Huggins solution theory
    solute is a macromolecular chain. We take account of this dissymmetry in molecular sizes by assuming that individual polymer segments and individual solvent...
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  • Thumbnail for Multiscale modeling
    multiscale modeling and simulation-based design were invariant to the type of product and that effective multiscale simulations could in fact lead to...
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  • Biochemistry and Biophysics. In 2021, he authored a text on biophysical theory and simulations, Computational Modeling and Simulations of Biomolecular...
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  • Thumbnail for Force field (chemistry)
    Glycam-Based Force Field for Simulations of Lipopolysaccharide Membranes: Parametrization and Validation". Journal of Chemical Theory and Computation. 8 (11):...
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  • Center for Nanophase Materials Sciences (category Leadership in Energy and Environmental Design certified buildings)
    Oak Ridge, Tennessee and is a collaborative research facility for the synthesis, characterization, theory/ modeling/ simulation, and design of nanoscale...
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  • Thumbnail for Biomolecular condensate
    Iborra FJ (April 2007). "Can visco-elastic phase separation, macromolecular crowding and colloidal physics explain nuclear organisation?". Theoretical...
    87 KB (9,214 words) - 03:03, 7 July 2025
  • Thumbnail for Institut Charles Sadron
    Institut Charles Sadron (category Official website different in Wikidata and Wikipedia)
    Macromoléculaire (Centre for Study of Macromolecular Physics). This multidisciplinary centre including physicists, chemists and biologists, was dedicated to research...
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  • molecular simulation software package GROMACS. It closely resembles the PDB format but was designed for storing output from molecular dynamics simulations, so...
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  • Thumbnail for Gaussian network model
    macromolecular assemblies such as a ribosome or a viral capsid. Protein domain dynamics plays key roles in a multitude of molecular recognition and cell...
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  • Coarse-grained models have found practical applications in molecular dynamics simulations. Another case of interest is the simplification of a given discrete-state...
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  • American Institute for Medical and Biological Engineering for her contributions to the computational methodologies for macromolecular assemblies. In 2018 she...
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  • Frankfurt "Macromolecular Complexes" (CEF) was established in 2006 by Goethe University Frankfurt together with the Max Planck Institute of Biophysics and the...
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  • theory and computational simulations. Notably, Larson and collaborators discovered new types of viscoelastic instabilities for polymer molecules and developed...
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  • condensed matter physics, establishing simulations as a third branch in addition to theory and experiment, and for catalyzing its application in many...
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  • suggested by Alessandro Laio and Michele Parrinello in 2002 and is usually applied within molecular dynamics simulations. MTD closely resembles a number...
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