Results show that, using a statistical mechanics based free energy method like BEDAM starting from docked poses offers better enrichment than classical docking scoring functions and rescoring methods like Prime MM-GBSA for the Hsp90 data set in this blind challenge. Although the ligand dataset in this study resembles an intermediate to late stage lead optimization project while the BEDAM method is mainly developed for early stage virtual screening of hit molecules, the BEDAM binding free energy scoring has resulted in a moderate enrichment of ligand screening against this challenging drug target. Large scale absolute binding free energy calculations that cover over 3000 protein-ligand complexes were performed using the BEDAM method starting from docked structures generated by Glide docking.

New materials that tap sunlight, store electricity, or make fuel from splitting water or recycling carbon dioxide will need to be much smarter and more functional than today's commodity-based energy materials. None The next generation of sustainable energy technologies will revolve around transformational new materials and chemical processes that convert energy efficiently among photons, electrons, and chemical bonds. Hasil dari analisa tersebut adalah torsi terbesar terdapat pada variasi panjang chord 1.5 m dengan sudut pitch 10o dan jumlah blade 4 buah dengan nilai 1 Nm. Setelah analisa berakhir kita membandingkan hasil analisa dalam grafik. Analisa yang dilakukan untuk melihat efek peningkatan panjang chord, jumlah blade dan sudt pitch dari blade. Tujuan dari tugas akhir ini adalah mengetahui seberapa besar pengaruh peningkatan panjang chord, jumlah blade, sudut pitch dari blade terhadap torsi dan effisiensi yang dihasilkan oleh VAWT dengan pendekatan CFD (Computational Fluid Dynamic. VAWT merupakan turbin angin dengan sumbu vertical atau tegak lurus terhadap tanah.

Program kerja tata usaha.doc