讲座题目：Computationally-Driven Structure-Based Drug Design

讲座内容摘要：For ~25 years the implementation of computational methods in drug discovery has promised to deliver new drugs to market faster and at lower cost than more traditional drug discovery methods. This promise is increasingly coming to fruition as computational methods have become more robust, more widely used and high powered, inexpensive gaming cards allow calculations to be completed in a timeframe that is meaningful to drug discovery teams. A number of examples, both retrospective and prospective will be provided that illustrate the implementation of physics-based algorithms such as WaterMap and Free Energy Perturbation (FEP+) to evaluate the druggability of a protein target binding site, identify druggable “hot spots”, assess opportunities for bridging water interactions, predict compound protein potency and selectivity and hence decrease the number of compounds needing to be synthesized to discover a clinical candidate.

演讲人：Dr. Victoria Feher（维多利亚·费尔博士）

Dr. Victoria Feher（维多利亚·费尔博士）现任schrödinger，Inc. (薛定谔公司) 的全球主管，负责药物开发及客户服务。其领导的团队包括40多位拥有博士学位的科学家，为Schrödinger的软件客户提供专业知识、研究合作以及药物开发咨询。schrödinger是一家计算机模拟的软件公司，十几年来一直处于全球领先地位。该公司为药物设计、化学计算、材料科学及生命科学提供最先进的软件及应用服务, 并在这些领域取得多个科学突破。公司的客户遍布全世界, 包括大量著名的制药公司及生物技术公司, 还有众多研究单位及实验室。

Dr. Feher曾在多家生物技术及制药公司任职，并担任过加州大学圣地亚哥分校药物发现创新中心副总监，科学论文发表在Nature和Nature Structural Biology等一流刊物中，拥有多项发明专利，其中抗肿瘤药物TAK659，已进入临床2期试验。

讲座时间：2017年3月20日 14.30

讲座地点：厦门大学翔安校区药学院426报告厅