Inter-residue and solvent-residue interactions in proteins: A statistical study on experimental structures.
- Published in:
- Proteins, 2004, v. 55, n. 1, p. 139, doi. 10.1002/prot.20030
- By:
- Publication type:
- Article
Works matching AU Chelli, Riccardo
Results: 13
1
2
The nature of intermolecular interactions between aromatic amino acid residues.
- Published in:
- Proteins, 2002, v. 48, n. 1, p. 117, doi. 10.1002/prot.10116
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- Publication type:
- Article
3
Mapping Industry 4.0 Enabling Technologies into United Nations Sustainability Development Goals.
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- Sustainability (2071-1050), 2021, v. 13, n. 5, p. 2560, doi. 10.3390/su13052560
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- Publication type:
- Article
4
Toward quantitative estimates of binding affinities for protein-ligand systems involving large inhibitor compounds: A steered molecular dynamics simulation route.
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- Journal of Computational Chemistry, 2013, v. 34, n. 18, p. 1561, doi. 10.1002/jcc.23286
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- Publication type:
- Article
5
ORAC: A molecular dynamics simulation program to explore free energy surfaces in biomolecular systems at the atomistic level.
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- Journal of Computational Chemistry, 2010, v. 31, n. 5, p. 1106, doi. 10.1002/jcc.21388
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- Publication type:
- Article
6
Retrieval of spectral and dynamic properties from two-dimensional infrared pump-probe experiments.
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- Journal of Computational Chemistry, 2008, v. 29, n. 9, p. 1507, doi. 10.1002/jcc.20901
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- Publication type:
- Article
7
Resolving capacity of infrared-visible sum frequency generation microscopy to address discrete structural realizations of a protein at interface.
- Published in:
- Journal of Raman Spectroscopy, 2016, v. 47, n. 7, p. 828, doi. 10.1002/jrs.4902
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- Publication type:
- Article
8
Free volume from molecular dynamics simulations and its relationships to the positron annihilation lifetime spectroscopy.
- Published in:
- Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2007, v. 118, n. 2, p. 443, doi. 10.1007/s00214-007-0283-9
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- Publication type:
- Article
9
Problems in molecular dynamics of condensed phases.
- Published in:
- Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2007, v. 117, n. 5/6, p. 1105, doi. 10.1007/s00214-006-0223-0
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- Publication type:
- Article
10
Binding Zinc and Oxo-Vanadium Insulin-Mimetic Complexes to Phosphatase Enzymes: Structure, Electronics and Implications.
- Published in:
- Molecules, 2025, v. 30, n. 7, p. 1469, doi. 10.3390/molecules30071469
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- Publication type:
- Article
11
Cu(Proline) 2 Complex: A Model of Bio-Copper Structural Ambivalence.
- Published in:
- Molecules, 2022, v. 27, n. 18, p. 5846, doi. 10.3390/molecules27185846
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- Publication type:
- Article
12
Quantum Chemical Simulation of the Q y Absorption Spectrum of Zn Chlorin Aggregates for Artificial Photosynthesis.
- Published in:
- Molecules, 2021, v. 26, n. 4, p. 1086, doi. 10.3390/molecules26041086
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- Publication type:
- Article
13
Studying the Binding Modes of Novel 2-Aminopyridine Derivatives as Effective and Selective c-Met Kinase Type 1 Inhibitors Using Molecular Modeling Approaches.
- Published in:
- Molecules, 2021, v. 26, n. 1, p. 52, doi. 10.3390/molecules26010052
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- Publication type:
- Article