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Inhibition Ability of Natural Compounds on Receptor-Binding Domain of SARS-CoV2: An In Silico Approach.
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- Pharmaceuticals (14248247), 2021, v. 14, n. 12, p. 1328, doi. 10.3390/ph14121328
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Prediction of Partition Coefficients in SDS Micelles by DFT Calculations.
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- Symmetry (20738994), 2021, v. 13, n. 9, p. 1750, doi. 10.3390/sym13091750
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- Article
Diffusion in macromolecular crowded media: Monte Carlo simulation of obstructed diffusion vs. FRAP experiments.
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- Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2011, v. 128, n. 4-6, p. 795, doi. 10.1007/s00214-010-0840-5
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Ion binding to polyelectrolytes: Monte Carlo simulations versus classical mean field theories.
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- Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2009, v. 123, n. 1/2, p. 127, doi. 10.1007/s00214-009-0550-z
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Constant-pH Simulations of a Coarse-Grained Model of Polyfunctional Weak Charged Biopolymers.
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- Biophysica, 2024, v. 4, n. 1, p. 107, doi. 10.3390/biophysica4010008
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- Article
MACROMOLECULAR CROWDING UPON IN-VIVOLIKE ENZYME-KINETICS: EFFECT OF ENZYMEOBSTACLE SIZE RATIO.
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- New Frontiers in Chemistry, 2015, v. 24, n. 1, p. 3
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- Article
Analyzing slowly exchanging protein conformations by ion mobility mass spectrometry: study of the dynamic equilibrium of prolyl oligopeptidase.
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- Journal of Mass Spectrometry, 2016, v. 51, n. 7, p. 504, doi. 10.1002/jms.3777
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Combinatorial K-Means Clustering as a Machine Learning Tool Applied to Diabetes Mellitus Type 2.
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- International Journal of Environmental Research & Public Health, 2021, v. 18, n. 4, p. 1919, doi. 10.3390/ijerph18041919
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- Article
Conformational analysis of a potent SSTR3-selective somatostatin analogue by NMR in water solution.
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- Journal of Peptide Science, 2006, v. 12, n. 2, p. 82, doi. 10.1002/psc.743
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Collection of Partition Coefficients in Hexadecyltrimethylammonium Bromide, Sodium Cholate, and Lithium Perfluorooctanesulfonate Micellar Solutions: Experimental Determination and Computational Predictions.
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- Molecules, 2023, v. 28, n. 15, p. 5729, doi. 10.3390/molecules28155729
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ENPDA: an evolutionary structure-based de novo peptide design algorithm.
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- Journal of Computer-Aided Molecular Design, 2005, v. 19, n. 8, p. 585, doi. 10.1007/s10822-005-9015-1
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- Article
Unusual Aspects of Charge Regulation in Flexible Weak Polyelectrolytes.
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- Polymers (20734360), 2023, v. 15, n. 12, p. 2680, doi. 10.3390/polym15122680
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- Article
Unveiling the Effect of Low pH on the SARS-CoV-2 Main Protease by Molecular Dynamics Simulations.
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- Polymers (20734360), 2021, v. 13, n. 21, p. 3823, doi. 10.3390/polym13213823
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- Article
Unravelling Constant pH Molecular Dynamics in Oligopeptides with Explicit Solvation Model.
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- Polymers (20734360), 2021, v. 13, n. 19, p. 3311, doi. 10.3390/polym13193311
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- Article
On the Use of the Discrete Constant pH Molecular Dynamics to Describe the Conformational Space of Peptides.
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- Polymers (20734360), 2021, v. 13, n. 1, p. 99, doi. 10.3390/polym13010099
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- Article
Effect of pH on the Supramolecular Structure of Helicobacter pylori Urease by Molecular Dynamics Simulations.
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- Polymers (20734360), 2020, v. 12, n. 11, p. 2713, doi. 10.3390/polym12112713
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- Article
Role of Charge Regulation and Fluctuations in the Conformational and Mechanical Properties of Weak Flexible Polyelectrolytes.
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- Polymers (20734360), 2019, v. 11, n. 12, p. 1962, doi. 10.3390/polym11121962
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- Article
Coupling of Charge Regulation and Conformational Equilibria in Linear Weak Polyelectrolytes: Treatment of Long-Range Interactions via Effective Short-Ranged and pH-Dependent Interaction Parameters.
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- Polymers (20734360), 2018, v. 10, n. 8, p. 811, doi. 10.3390/polym10080811
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- Article
Brownian Dynamics Computational Model of Protein Diffusion in Crowded Media with Dextran Macromolecules as Obstacles.
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- Entropy, 2017, v. 19, n. 3, p. 105, doi. 10.3390/e19030105
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Disruption of the HIV-1 protease dimer with interface peptides: Structural studies using NMR spectroscopy combined with [2-<sup>13</sup>C]-Trp selective labeling.
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- Biopolymers, 2007, v. 88, n. 2, p. 164, doi. 10.1002/bip.20685
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- Article
A new side opening on prolyl oligopeptidase revealed by electron microscopy
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- FEBS Letters, 2009, v. 583, n. 20, p. 3344, doi. 10.1016/j.febslet.2009.09.036
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- Article
Retro-Enantio N-Methylated Peptides as β-Amyloid Aggregation Inhibitors.
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- ChemMedChem, 2009, v. 4, n. 9, p. 1488, doi. 10.1002/cmdc.200900191
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Development and Characterization of Peptidic Fusion Inhibitors Derived from HIV-1 gp41 with Partial D-Amino Acid Substitutions.
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- ChemMedChem, 2009, v. 4, n. 4, p. 570, doi. 10.1002/cmdc.200800390
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Design of enhanced agonists through the use of a new virtual screening method: Application to peptides that bind class I major histocompatibility complex (MHC) molecules.
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- Protein Science: A Publication of the Protein Society, 2005, v. 14, n. 8, p. 2069, doi. 10.1110/ps.051351605
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- Article
Mechanism of Binding of Fluoroquinolones to the Quinolone Resistance-Determining Region of DNA Gyrase: Towards an Understanding of the Molecular Basis of Quinolone Resistance.
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- ChemBioChem, 2008, v. 9, n. 13, p. 2081, doi. 10.1002/cbic.200800041
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- Article