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Protein  4 times
Molecular dynamics  3 times
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X-ray crystallography  2 times
Spectroscopy  2 times
Nitrogen  2 times
Molecular mechanics  2 times
Molecular geometry  2 times
Energetics  2 times
Density functional theory  2 times
Binding energy  2 times
Activation energy  2 times
Weak interaction  1 time
Van der Waals force  1 time
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Thermogravimetric analysis  1 time
The Molecules  1 time
Taylor series  1 time
System model  1 time
Quality control  1 time
Proton  1 time
Protein structure  1 time
Protein Data Bank  1 time
Polarizability  1 time
Physics  1 time
Peptide  1 time
PH  1 time
Nucleotide  1 time
Nuclear magnetic resonance spectroscopy  1 time
Nitrobenzene  1 time
Methane  1 time
Mathematical optimization  1 time
Luminescence  1 time
Ligand  1 time
Laser  1 time
Ion  1 time
Infrared spectroscopy  1 time
Ibuprofen  1 time
High-performance liquid chromatography  1 time
Green fluorescent protein  1 time
Furan  1 time
Formaldehyde  1 time
Fluorescence  1 time
Enzyme inhibitor  1 time
Electronvolt  1 time
Dihedral angle  1 time
Differential scanning calorimetry  1 time
Dielectric  1 time
Dichloromethane  1 time
DNA sequencing  1 time
DNA  1 time
Cyclodextrin  1 time
Crystal structure  1 time
Chromophore  1 time
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Carbon  1 time
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Publications tagged with this subject: 18

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1. Reduced density-matrix functionals from many-particle theory

2. Synthesis and structure of 5,7-diisopropyl-2-(quinolin-2-yl)-1,3-tropolone derivatives

3. Why does β-cyclodextrin prefer to bind nucleotides with an adenine base rather than other 2′-deoxyribonucleoside 5′-monophosphates?

4. Photoprocesses in N-ammonioalkyl derivatives of azacrown-containing styryl dyes and their complexes with metal perchlorates

5. An efficient method for electron-atom scattering using ab-initio calculations

6. Heteroatom and solvent effects on molecular properties of formaldehyde and thioformaldehyde symmetrically disubstituted with heterocyclic groups C4H3Y (where Y = O–Po)

7. An efficient algorithm for the determination of force constants and displacements in numerical definitions of a large, general order Taylor series expansion

8. Geometry optimization of steroid sulfatase inhibitors - the influence on the free binding energy with STS

9. Study on the thermal decomposition of famciclovir

10. Three-dimensional structure of a pH-dependent fluorescent protein WasCFP with a tryptophan based deprotonated chromophore

11. Molecular recognition of cyclodecapeptides to ibuprofen and naproxen enantiomers: a theoretical study

12. Rational redesign of a cation···π···π stacking at cardiovascular Fbw7–Skp1 complex interface and its application for deriving self-inhibitory peptides to disrupt the complex interaction

13. Classical and reverse substituent effects in meta- and para-substituted nitrobenzene derivatives

14. Intra- and intermolecular hydrogen bonding in solutions of N-(2-hydroxy-3,8-diiodocyclooctyl)trifluoroacetamide and N-(4-iodo-2,2,5,5-tetramethyltetrahydrofuran-3-yl)trifluoroacetamide

15. Merging Empirical Valence Bond Theory with Quantum Chemistry to Model Proton Transfer Processes in Water

16. Antagonist-perturbation mechanism for activation function-2 fixed motifs: active conformation and docking mode of retinoid X receptor antagonists

17. Activation energy of ion motion in the nanodimensional lattice of LaF3 superionic conductor

18. Modeling of methane adsorption on microporous active carbons and nanotubes using methods of molecular dynamics and quantum chemistry


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