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Synonyms were used for: molecular dynamics
Search without synonyms: keywords:("molecular dynamics")
Used synonyms:
- md simulation
- molekularbewegung
- molekulardynamik
- molekulardynamikmethode
- molekulardynamische berechnung
- molekulardynamische computersimulation
- molekulardynamische simulation
- molekulare dynamik
- molekulbewegung
- molekuldynamik
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EFFICIENT SYNTHESIS OF 1-(BROMOMETHYL)-3,5-DIMETHOXYBENZENE: X-RAY STRUCTURE, HIRSHFELD SURFACE ANALYSIS, DFTs, AND MOLECULAR MODELLING INVESTIGATIONS AS TYROSINASE INHIBITOR
Free accessDOAJ | 2024|Keywords: MD simulation. -
Unravelling carbohydrate binding module 21 (CBM21) dynamics of interaction with amylose
Elsevier | 2024|Keywords: Molecular dynamics -
On the origin of optical rotation changes during the κ-carrageenan disorder-to-order transition
Elsevier | 2024|Keywords: Molecular dynamics -
Revealing the key structural features promoting the helical conformation in algal polysaccharide carrageenan in solution
Elsevier | 2024|Keywords: Enhanced sampling molecular dynamics -
Elucidation of temperature-induced water structuring on cellulose surfaces for environmental and energy sustainability
Elsevier | 2024|Keywords: Molecular dynamics -
Design strategy for blends of biodegradable polyester and thermoplastic starch based on a molecular dynamics study of the phase-separated interface
Elsevier | 2024|Keywords: Molecular dynamics (MD) simulations -
Characterization of caffeic acid-induced changes in the structure and stability of lysozyme: insights from spectroscopy and molecular dynamics simulations
Springer Verlag | 2024|Keywords: MD simulation -
An in-silico investigation of volatile compounds in Tulsi and Ginger as a potent inhalant for SARS-CoV-2 treatment
Springer Verlag | 2024|Keywords: MD simulation -
B ← N coordination bond reinforced dynamic fluorescence of pH-responsive amphiphile alginate aggregates for anti-counterfeiting
Elsevier | 2024|Keywords: Coarse-grained molecular dynamics -
Exploring antioxidant activities and inhibitory effects against α‐amylase and α‐glucosidase of Elaeocarpus braceanus fruits: insights into mechanisms by molecular docking and molecular dynamics
Wiley | 2024|Keywords: molecular dynamics simulation -
Machine learning heralding a new development phase in molecular dynamics simulations
Free accessSpringer Verlag | 2024|Keywords: Molecular dynamics simulations -
Unraveling the molecular dynamics of sugammadex-rocuronium complexation: A blueprint for cyclodextrin drug design
Elsevier | 2024|Keywords: molecular dynamics, Molecular dynamics -
Corrosion inhibition behavior of 2-(4-methoxyphenyl)-benzothiazole on mild steel corrosion through design of experiments approach, quantum chemical calculations and molecular dynamics simulation
Springer Verlag | 2024|Keywords: Molecular dynamics simulation -
Application of sodium sulfobutylether-β-cyclodextrin based on encapsulation
Elsevier | 2024|Keywords: Molecular dynamics -
Molecular dynamics simulation of α‐gliadin in ethanol/aqueous organic solvents
Wiley | 2023|Keywords: molecular dynamics simulation -
A study of cyanidin/alginate complexation: Influence of pH in assembly and chiral properties
Elsevier | 2023|Keywords: Molecular dynamics -
Hyaluronan-arginine enhanced and dynamic interaction emerges from distinctive molecular signature due to electrostatics and side-chain specificity
Elsevier | 2023|Keywords: Molecular dynamics -
Molecular dynamics simulation techniques and their application to aroma compounds/cyclodextrin inclusion complexes: A review
Elsevier | 2023|Keywords: Molecular dynamics simulation -
Glycosaminoglycan-mimetic infernan grafted with poly(N-isopropylacrylamide): Toward a thermosensitive polysaccharide
Elsevier | 2023|Keywords: Molecular dynamics -
A computational study of cellulose regeneration: All-atom molecular dynamics simulations
Elsevier | 2023|Keywords: All-atom molecular dynamics simulations
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