Considerate 发表于 2025-3-21 19:16:21
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Approaches to Protein-Ligand Binding from Computer Simulationsations of statistical mechanics simulations to the problem are considered that feature full atomic-level descriptions of the protein, ligand and aqueous environment. Basic concepts on the methodology and intermolecular interactions in solution are presented along with results of Monte Carlo simulatiMelodrama 发表于 2025-3-22 02:41:14
Dynamics of Biomolecules : Simulation Versus X-Ray and Far-Infrared Experimentsular mobility . In many areas of molecular biology, such as muscle contraction or conformational changes in allosteric proteins, motion is self-evidently crucial. In facilitating such processes as the access of ligands to protein binding sites or in accomodating the change in protein and substratLigneous 发表于 2025-3-22 06:30:23
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Professional Gamblingortance for the design of drugs. Structural information often greatly enhances our understanding of how proteins function and how they interact with each other or it can, for example, explain antigenic behaviour, DNA binding specificity, etc. X-ray crystallography and NMR spectroscopy are the only w核心 发表于 2025-3-22 16:11:49
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Biomolecular Structure and Dynamics: Recent Experimental and Theoretical Advances study of biomolecules in solution, thus closer to their real physiological environment. The method is limited, however, to biomolecules of relatively small size due to limitations in spectral resolution and line broadening effects. The upper limit is presently situated around molecular weights of 3semble 发表于 2025-3-23 04:11:50
What Drives Association of α-Helical Peptides in Membrane Domains of Proteins? Role of Hydrophobic Ipore-forming proteins. Their hydrophobic and packing properties were analyzed using Monte Carlo simulations in solvents of different polarity, molecular hydrophobicity potential calculations and environmental profiles method. The results obtained in independent techniques are in reasonable agreementFrequency 发表于 2025-3-23 07:24:13
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