By using different evaluation strategies, we systemically evaluated the performance of Molecular Mechanics/Generalized Born Surface Area (MM/GBSA) and Molecular Mechanics/Poisson-Boltzmann Surface Area (MM/PBSA) methodologies based on more than 1800 protein-ligand crystal structures in the PDBbind database. The results can be summarized as follows: (1) for the one-protein-family/one-binding-lig...

This memo reviews the requirements for using the ALMA array as a part of a global VLBI array at millimeter wavelengths. ALMA can be outfitted for VLBI at modest cost and should be planned with this capability in mind, as it may be more difficult to retrofit at a later date. The essential features required in the ALMA design are discussed.

اجرای موفقیت‌آمیز انواع مدل‌های در مقیاس منطقه‌ای به انتخاب نوع داده و الگوریتم مناسب بازمی‌گردد. این نکته، کنار ممکن‌نبودن اندازه‌گیری تمامی اجزای طبیعت، منجر شکل‌گیری تحولی بزرگ شیوة درک پدیده‌ها شده است. شیوه، می‌توان هر جزء از طبیعت را به‌صورت یک عدد کمّی هندسة فراکتال درآورد. پژوهش حاضر، به‌منظور بررسی بعد شبکة زهکشی روی سازندهای زمین‌شناسی حوضة دشت یزد‌ـ اردکان، هم‌زمان الگوریتم‌های جریان ...

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With the rapid development of computational techniques and hardware, more rigorous and precise theoretical models have been used to predict the binding affinities of a large number of small molecules to biomolecules. By employing continuum solvation models, the MM/GBSA and MM/PBSA methodologies achieve a good balance between low computational cost and reasonable prediction accuracy. In this stu...