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کلمات کلیدی: molecular dynamics simulation
موارد یافت شده: 65
1 - Methane hydrate formation between graphene oxide nanosheets: Insights from molecular dynamics simulations (چکیده)2 - Effect of external electric and magnetic fields on the structural properties of gold nanoclusters formed during inert-gas condensation process in different environments using molecular dynamics simulations (چکیده)
3 - Assessment of water purification by IRMOF-1 based on rGO as a new nanoengineered adsorbent: Insights from adsorption mechanism (چکیده)
4 - Engineering Human Pancreatic RNase 1 as an Immunotherapeutic Agent for Cancer Therapy Through Computational and Experimental Studies (چکیده)
5 - Molecular simulation of CO2 capturing by dual functionalized phosphonium-based amino acid ionic liquids (چکیده)
6 - Molecular dynamics simulation of Pt@Au nanoalloy in various solvents: Investigation of solvation, aggregation, and possible coalescence (چکیده)
7 - Adsorption of an Azo Dye on Graphene Nanosheet: A Molecular Dynamics Simulation Study (چکیده)
8 - ECEL1 novel mutation in arthrogryposis type 5D: A molecular dynamic simulation study (چکیده)
9 - New insights into the effect of mutations on affibody-Fc interaction, a molecular dynamics simulation approach (چکیده)
10 - Molecular dynamics simulation of drug delivery across the cell membrane by applying gold nanoparticle carrier: Flutamide as hydrophobic and glutathione as hydrophilic drugs as the case studies (چکیده)
11 - Comparing Solvents for SO2 Absorption by Molecular Dynamics Simulation (چکیده)
12 - Self-association process of tetracycline antibiotic in different aqueous solutions: a joint experimental study and molecular dynamics simulation (چکیده)
13 - Interaction of camel Lactoferrin derived peptides with DNA: a molecular dynamics study (چکیده)
14 - Analysis of ECTFE/diluent miscibility using molecular dynamics simulation (چکیده)
15 - The Importance of Recognizing Binding Sites and Introducing Methods for Identification of them (چکیده)
16 - Soybean oil-based nanoemulsion systems in absence and presence of curcumin: Molecular dynamics simulation approach (چکیده)
17 - Data for exploring the effect of parameters on decomposition of gas hydrate structure I (چکیده)
18 - Exploring the effect of important parameters on decomposition of gas hydrate structure I: A molecular dynamics simulation study (چکیده)
19 - Magnetic field effect on the structural properties of a peptide model: Molecular dynamics simulation study (چکیده)
20 - Comparing graphene and graphene oxide nanosheets in dye adsorption: Molecular dynamics simulation study (چکیده)
21 - Effect of Magnetized Ethanol on the Shape Evolution of Zinc Oxide from Nanoparticles to Microrods: Experimental and Molecular Dynamic Simulation Study (چکیده)
22 - Destabilization of glucose oxidase by increasing concentration of ionic liquid: Insight from molecular dynamics simulation (چکیده)
23 - The variation of surface free energy of Al during superhydrophobicity processing (چکیده)
24 - A new method for preparing mono-dispersed nanoparticles using magnetized water (چکیده)
25 - The role of hydrogen bond interaction on molecular orientation of alkanolamines through temperature and pressure variation: A mixed molecular dynamics and quantum mechanics study (چکیده)
26 - Studies of Interaction between Propranolol and Human Serum Albumin in the Presence of DMMP by Molecular Spectroscopy and Molecular Dynamics Simulation (چکیده)
27 - Monovalent cation effects on conformation of glucose oxidase enzyme (چکیده)
28 - The effects of removal of manganese ions on the structure of the enzyme chloroperoxidase (چکیده)
29 - Investigation of structural stability and enzymatic activity of glucose oxidase and its subunits (چکیده)
30 - The effect of various quantum mechanically derived partial atomic charges on the bulk properties of chloride-based ionic liquids (چکیده)
31 - Transport, thermodynamic, and structural properties of rare earth zirconia-based electrolytes by molecular dynamics simulation (چکیده)
32 - Molecular dynamics simulation of doxorubicin adsorption on a bundle of functionalized CNT (چکیده)
33 - Influence of taxifolin on the human serum albumin–propranolol interaction: multiple spectroscopic, chemometrics investigations and molecular dynamics simulation (چکیده)
34 - Comparative study of structurally similar flavonoids quercetin and taxifolin effects on the therapeutic behavior of alprazolam (چکیده)
35 - Magnetized property effect of a non-aqueous solvent upon complex formation between kryptofix 22DD with lanthanum(III) cation: experimental aspects and molecular dynamics simulation (چکیده)
36 - Investigation of graphene oxide nanosheets dispersion in water based on solubility parameters: a molecular dynamics simulation study (چکیده)
37 - Thermal conductivity and heat transport properties of nitrogen-doped graphene (چکیده)
38 - Structural View of Hydrophobic Ionic Liquid on Graphene: Comparing Static and Ab Initio Computer Simulations (چکیده)
39 - Structural and Thermodynamic Properties of Graphene Oxide Nanosheets: A Molecular Dynamics Simulation Study (چکیده)
40 - Biophysical probing of the binding properties of a Cu(II) complex with G‐quadruplex DNA: an experimental and computational study (چکیده)
41 - Molecular Dynamics Simulation of Carbon Molecular Sieve Preparation for Air Separation (چکیده)
42 - Adsorption of Doxorubicin Anti-Cancer Drug on the Functionalized Carbon Nano Tube A Molecular Dynamics Simulation (چکیده)
43 - Molecular Dynamics Simulations of ChlortetracyclineAntibioticAdsorption fromWater usingIronOxide Nanoparticle (چکیده)
44 - Investigation of Graphene Oxide Nanosheets Dispersion in Water Using Molecular Dynamics Simulation (چکیده)
45 - Thermal conductivity and heat transport properties of graphene nanoribbons (چکیده)
46 - Conformational switch of insulin-binding aptamer into G-quadruplex induced by K+ and Na+: an experimental and theoretical approach (چکیده)
47 - Investigating the interactions of the enantiomers of phenylglycine with nanopores of ZSM-5 zeolite (چکیده)
48 - Nd2-xGdxZr2O7 electrolytes: Thermal expansion and effect of temperature and dopant concentration on ionic conductivity of oxygen (چکیده)
49 - Investigating the Ibuprofen Chiral Forms Interactions with Single Wall Carbon Nanotube (چکیده)
50 - Asphaltene Dispersion via Atomistic Simulation in Benzene (چکیده)
51 - Magnetic effects on the solvent properties investigated by molecular dynamics simulation (چکیده)
52 - Prefoldin 1: A New Bio-Nanorobots Component (چکیده)
53 - A Mimetic AmorphousActive CarbonModel Using Molecular Dynamics Simulation (چکیده)
54 - A Mimetic AmorphousActive CarbonModel Using Molecular Dynamics Simulation (چکیده)
55 - Theoretical Study of the Transport Phenomena of Ibuprofen Chiral Molecules Inside Nanopores of Lysozyme Protein Crystal (چکیده)
56 - Glycine Amino Acid Transport inside the Nanopores of Lysozyme Protein Crystal (چکیده)
57 - Studies of structural, dynamical, and interfacial properties of 1-alkyl-3-methylimidazolium iodide ionic liquids by molecular dynamics simulation (چکیده)
58 - THE EFFECTS OF SODIUM DODECYL SULFATE ON BOVINE CARBONIC ANHYDRASE STABILITy : MOLECULAR DYNAMICS SIMULATION STUDY (چکیده)
59 - Computation of some thermodynamic properties of nitrogen using a new intermolecular potential from (چکیده)
60 - Computation of some thermodynamic properties of helium–neon and helium–krypton fluid mixtures using molecular dynamics simulation (چکیده)
61 - Computation of Some Thermodynamic Properties of Krypton-Xenon and Krypton-Neon Mixtures (چکیده)
62 - Computation of some thermodynamic properties of He-Kr mixture using molecular dynamics simulation (چکیده)
63 - An Accurate Expression for Radial Distribution Function of the Lennard-Jones (چکیده)
64 - Quantum computation of the properties of helium using two-body and three-body intermolecular potentials: a molecular dynamics study (چکیده)
65 - A molecular dynamics study on the role of attractive and (چکیده)
