Search Results - "Maziar Heidari"
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Fluctuations, Finite-Size Effects and the Thermodynamic Limit in Computer Simulations: Revisiting the Spatial Block Analysis Method
Published in Entropy (Basel, Switzerland) (24-03-2018)“…The spatial block analysis (SBA) method has been introduced to efficiently extrapolate thermodynamic quantities from finite-size computer simulations of a…”
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2
Circuit Topology Analysis of Polymer Folding Reactions
Published in ACS central science (24-06-2020)“…Circuit topology is emerging as a versatile measure to classify the internal structures of folded linear polymers such as proteins and nucleic acids. The…”
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3
Combined Experimental and Theoretical Investigation of Heating Rate on Growth of Iron Oxide Nanoparticles
Published in Chemistry of materials (28-11-2017)“…Thermal decomposition is a promising route for the synthesis of highly monodisperse magnetite nanoparticles. However, the apparent simplicity of the synthesis…”
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4
Refined Protein–Sugar Interactions in the Martini Force Field
Published in Journal of chemical theory and computation (08-11-2024)“…Sugar molecules play important roles as mediators of biomolecular interactions in cellular functions, disease, and infections. Molecular dynamics simulations…”
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5
Ordering of Functional Groups by Confining Grafted Chains, Star Polymers, or Polymer-Stabilized Nanoparticles
Published in Macromolecules (26-05-2020)“…Understanding and controlling the self-organization of functionalized sites are crucial in biological systems, in catalysis, and to target drug delivery. Here…”
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6
A topology framework for macromolecular complexes and condensates
Published in Nano research (01-11-2022)“…Macromolecular assemblies such as protein complexes and protein/RNA condensates are involved in most fundamental cellular processes. The arrangement of…”
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7
Visualizing the disordered nuclear transport machinery in situ
Published in Nature (London) (04-05-2023)“…The approximately 120 MDa mammalian nuclear pore complex (NPC) acts as a gatekeeper for the transport between the nucleus and cytosol 1 . The central channel…”
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Spatially Resolved Thermodynamic Integration: An Efficient Method To Compute Chemical Potentials of Dense Fluids
Published in Journal of chemical theory and computation (10-07-2018)“…Many popular methods for the calculation of chemical potentials rely on the insertion of test particles into the target system. In the case of liquids and…”
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9
Development of a Virtual Cell Model to Predict Cell Response to Substrate Topography
Published in ACS nano (26-09-2017)“…Cells can sense and respond to changes in the topographical, chemical, and mechanical information in their environment. Engineered substrates are increasingly…”
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10
Unwrapping NPT Simulations to Calculate Diffusion Coefficients
Published in Journal of chemical theory and computation (13-06-2023)“…In molecular dynamics simulations in the NPT ensemble at constant pressure, the size and shape of the periodic simulation box fluctuate with time. For particle…”
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11
Polymer time crystal: Mechanical activation of reversible bonds by low-amplitude high frequency excitations
Published in Science advances (24-05-2024)“…Reversible supramolecular bonds play an important role in materials science and in biological systems. The equilibrium between open and closed bonds and the…”
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Concurrent coupling of realistic and ideal models of liquids and solids in Hamiltonian adaptive resolution simulations
Published in The European physical journal. E, Soft matter and biological physics (23-05-2018)“… To understand the properties of a complex system it is often illuminating to perform a comparison with a simpler, even idealised one. A prototypical…”
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13
Tackling the Limitations of Copolymeric Small Interfering RNA Delivery Agents by a Combined Experimental–Computational Approach
Published in Biomacromolecules (09-12-2019)“…Despite the first successful applications of nonviral delivery vectors for small interfering RNA in the treatment of illnesses, such as the respiratory…”
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14
Cell-Imprinted Substrates Act as an Artificial Niche for Skin Regeneration
Published in ACS applied materials & interfaces (13-08-2014)“…Bioinspired materials can mimic the stem cell environment and modulate stem cell differentiation and proliferation. In this study, biomimetic…”
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15
Cooperation within von Willebrand factors enhances adsorption mechanism
Published in Journal of the Royal Society interface (06-08-2015)“…von Willebrand factor (VWF) is a naturally collapsed protein that participates in primary haemostasis and coagulation events. The clotting process is triggered…”
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16
The policy of agroforestry systems in Baneh forest, Northern Zagros
Published in Taḥqīqāt-i jangal va ṣanubar-i Īrān (01-06-2017)“…Agroforestry is one of the most important forms of utilization in Zagros forests. In the present study, Gandoman, Mirhesam, and Kokh-e Mamo allotments located…”
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17
Electromagnetic Transients Simulation-Based Surrogate Models for Tolerance Analysis of FACTS Apparatus
Published in IEEE transactions on power delivery (01-04-2013)“…This paper introduces a computationally efficient surrogate model-based approach for tolerance analysis of power systems. Surrogate models are heuristic,…”
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18
Investigating the local utilization of forest in north Zagros (Case study: Baneh Region)
Published in Majallah-i jangal-i Īrān (Online) (01-12-2016)“…DPSIR (Driver-Pressure-State-Impact-Response) is an analytical process, which is based on cause and effect relationship for making policy and management…”
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19
Dynamic Heterogeneity of Short Semi-crystalline Polymer Chains during Recrystallization
Published 08-10-2024“…The instant crystallization of semi-crystalline polymers have become possible following the recent advances in Fast Scanning Calorimetry (FSC) and enables to…”
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Opportunities and threats in utilization of non-wood products in Baneh forests
Published in Taḥqīqāt-i jangal va ṣanubar-i Īrān (01-03-2016)“…Non-wood forest products (NWFPs) and environmental values are preferred to woody products in Zagros forests. This study aimed to plan a utilization policy for…”
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