SAHBNET, an Accessible Surface-Based Elastic Network: An Application to Membrane Protein.
- Published in:
- International Journal of Molecular Sciences, 2013, v. 14, n. 6, p. 11510, doi. 10.3390/ijms140611510
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- Publication type:
- Article
Works matching DE "MOLECULAR dynamics methodology"
Results: 18
1
2
The origin of computational statistical mechanics in France.
- Published in:
- European Physical Journal H, 2019, v. 44, n. 1, p. 37, doi. 10.1140/epjh/e2018-90041-y
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- Publication type:
- Article
3
Effect of alkyl chain length on inhibition performance of imidazoline derivatives investigated by molecular dynamics simulation.
- Published in:
- Materials & Corrosion / Werkstoffe und Korrosion, 2013, v. 64, n. 3, p. 225, doi. 10.1002/maco.201106141
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- Publication type:
- Article
4
Effect of Methionine Oxidation and Substitution of α-Conotoxin TxID on α3β4 Nicotinic Acetylcholine Receptor.
- Published in:
- Marine Drugs, 2018, v. 16, n. 6, p. 215, doi. 10.3390/md16060215
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- Publication type:
- Article
5
Interactions of human butyrylcholinesterase with phenylvalerate and acetylthiocholine as substrates and inhibitors: kinetic and molecular modeling approaches.
- Published in:
- Archives of Toxicology, 2019, v. 93, n. 5, p. 1281, doi. 10.1007/s00204-019-02423-8
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- Publication type:
- Article
6
Computational investigation of the lubrication behaviors of dioxides and disulfides of molybdenum and tungsten in vacuum.
- Published in:
- Friction (2223-7704), 2017, v. 5, n. 1, p. 23, doi. 10.1007/s40544-016-0128-4
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- Publication type:
- Article
7
Spectroscopic BIL-SFG Invariance Hides the Chaotropic Effect of Protons at the Air-Water Interface.
- Published in:
- Atmosphere, 2018, v. 9, n. 10, p. 396, doi. 10.3390/atmos9100396
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- Publication type:
- Article
8
Pressure-induced metallization of condensed-phase RDX: molecular dynamic simulations in conjunction with MSST method.
- Published in:
- Canadian Journal of Chemistry, 2019, v. 97, n. 4, p. 245, doi. 10.1139/cjc-2018-0256
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- Publication type:
- Article
9
Lattice deformation in silicon and germanium nanocrystals.
- Published in:
- Physica Status Solidi. A: Applications & Materials Science, 2016, v. 213, n. 11, p. 2879, doi. 10.1002/pssa.201600372
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- Publication type:
- Article
10
First-Principles Molecular Dynamics Study of Carbon Corrosion in PEFC Catalyst Materials.
- Published in:
- Fuel Cells, 2016, v. 16, n. 6, p. 669, doi. 10.1002/fuce.201600012
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- Publication type:
- Article
11
A comparative study to elucidate the inhibitory mechanism of a 6-mer fragment of amyloid-beta 42 peptide as a potential therapeutic in Alzheimer's disease: insights from molecular dynamics simulations.
- Published in:
- Current Science (00113891), 2018, v. 114, n. 6, p. 1207, doi. 10.18520/cs/v114/i06/1207-1213
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- Publication type:
- Article
12
Study of Cyclization of Diphenylacetals Derived from L-rhamnose and L-fucose: A Theoretical Approach.
- Published in:
- South African Journal of Chemistry, 2012, v. 65, p. 84
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- Publication type:
- Article
13
Contents: Chem. Eng. Technol. 7/2015.
- Published in:
- Chemical Engineering & Technology, 2015, v. 38, n. 8, p. 1100, doi. 10.1002/ceat.201590044
- Publication type:
- Article
14
Molecular Dynamics Insights for Screening the Ability of Polymers to Remove Pesticides from Water.
- Published in:
- ChemistryOpen, 2019, v. 8, n. 4, p. 438, doi. 10.1002/open.201800293
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- Publication type:
- Article
15
Environmental Study on Molecular Dynamics Simulation of the Adsorption of CaCO<sub>3</sub> Molecules and Polyacrylic Acid (PAA) on Fe and Fe<sub>2</sub>O<sub>3</sub> Surfaces in Aqueous Solutions.
- Published in:
- Ekoloji Dergisi, 2019, n. 107, p. 3119
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- Publication type:
- Article
16
Prediction of EPR Spectra of Lyotropic Liquid Crystals using a Combination of Molecular Dynamics Simulations and the Model-Free Approach.
- Published in:
- Chemistry - A European Journal, 2017, v. 23, n. 53, p. 13192, doi. 10.1002/chem.201702682
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- Publication type:
- Article
17
Molecular Dynamics Insights into Polyamine-DNA Binding Modes: Implications for Cross-Link Selectivity.
- Published in:
- Chemistry - A European Journal, 2017, v. 23, n. 52, p. 12845, doi. 10.1002/chem.201702065
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- Publication type:
- Article
18
The effect of Stone-Wales defects and roughness degree on the lubricity of graphene on gold surfaces.
- Published in:
- Journal of Molecular Modeling, 2018, v. 24, n. 4, p. 1, doi. 10.1007/s00894-018-3621-z
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- Publication type:
- Article