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文章名     作者     期刊名     摘要     卷     期         如果没有找到您所需要的文献，请点击 ——此处申请     共6条记录   In Silico Technologies in Drug Design, Discovery and Development [作者：Zhang, YJ,期刊：Current Topics in Medicinal Chemistry, 页码：617-618 , 文章类型： Editorial Material，,卷期：2010年10-6] QSAR in the Pharmaceutical Research Setting: QSAR Models for Broad, Large Problems [作者：Sprous, DG; Palmer, RK; Swanson, JT; Lawless, M,期刊：Current Topics in Medicinal Chemistry, 页码：619-637 , 文章类型： Review，,卷期：2010年10-6] The field of quantitative structure activity relationships (QSAR) has evolved into an integral tool for pharmaceutical discovery. It is presently an accessible technology, as can be shown by the number papers which are e... G Protein Coupled Receptors - In Silico Drug Discovery and Design [作者：Sela, I; Golan, G; Strajbl, M; Rivenzon-Segal, D; Bar-Haim, S; Bloch, I; Inbal, B; Shitrit, A; Ben-Zeev, E; Fichman, M; Markus, Y; Marantz, Y; Senderowitz, H; Kalid, O,期刊：Current Topics in Medicinal Chemistry, 页码：638-656 , 文章类型： Review，,卷期：2010年10-6] In silico drug discovery is a complex process requiring flexibility and ingenuity in method selection and a careful validation of work protocols. GPCR in silico drug discovery poses additional challenges due to the pauci... In Silico Techniques for the Identification of Bioisosteric Replacements for Drug Design [作者：Devereux, M; Popelier, PLA,期刊：Current Topics in Medicinal Chemistry, 页码：657-668 , 文章类型： Review，,卷期：2010年10-6] This article provides an overview of the broad and increasingly varied selection of computational approaches available to find bioisosteric replacements for fragments of bioactive compounds. The rapidly increasing number... Molecular Shape Technologies in Drug Discovery: Methods and Applications [作者：Ebalunode, JO; Zheng, WF,期刊：Current Topics in Medicinal Chemistry, 页码：669-679 , 文章类型： Review，,卷期：2010年10-6] Shape complementarity is a critically important factor in molecular recognition among drugs and their biological receptors. The notion that molecules with similar 3D shapes tend to have similar biological activity has be... Post Processing of Protein-Compound Docking for Fragment-Based Drug Discovery (FBDD): In-Silico Structure-Based Drug Screening and Ligand-Binding Pose Prediction [作者：Fukunishi, Y,期刊：Current Topics in Medicinal Chemistry, 页码：680-694 , 文章类型： Review，,卷期：2010年10-6] For fragment-based drug development, both hit (active) compound prediction and docking-pose (protein-ligand complex structure) prediction of the hit compound are important, since chemical modification (fragment linking, ...