- Fragment and Protein Simulation Methods in Fragment Based Drug Design
[作者:Klon, AE; Konteatis, Z; Meshkat, SN; Zou, JM; Reynolds, CH,期刊:Drug Development Research, 页码:130-137 , 文章类型: Article,,卷期:2011年72-2]
- Fragment-based drug design (FBDD) has become an important and successful approach to drug discovery. In this review, we discuss two classes of simulation technologies that we routinely employ as part our of computational...
- In Silico Subtractive Genomics for Target Identification in Human Bacterial Pathogens
[作者:Barh, D; Tiwari, S; Jain, N; Ali, A; Santos, AR; Misra, AN; Azevedo, V; Kumar, A,期刊:Drug Development Research, 页码:162-177 , 文章类型: Article,,卷期:2011年72-2]
- Target identification is the first step in the drug and vaccine discovery process; in silico subtractive genomics is widely used in this process. Using this approach, in recent years, a large number of targets have been ...
- Mapping Drug Architecture by MoStBioDat: Rapid Screening of Intramolecular Hydrogen Bonded Motifs in Catechols
[作者:Bak, A; Magdziarz, T; Kurczyk, A; Polanski, J,期刊:Drug Development Research, 页码:209-218 , 文章类型: Article,,卷期:2011年72-2]
- Computer-assisted simulations are important for present-day chemical investigations, producing large amount of structural data. In molecular design, we calculate molecular descriptors for factual or virtual structures in...
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