US-Czechoslovakia Research On Solvation Of Artificial Enzymes

这个由新泽西理工学院的Carol a . Venanzi博士和捷克斯洛伐克科希策实验物理研究所生物物理研究所的Tibor Kozar博士合作的美国-捷克斯洛伐克研究项目将研究溶剂对一组人工酶构象的影响。每个小组都将为这次合作带来自己的专业知识。斯洛伐克研究人员将应用随机行走分子力学方法对人工酶在气相中的构象分析。结果将用于根据美国调查人员的距离几何和分子动力学结果来评估该技术。两个小组都将研究溶剂对分子构象的影响；斯洛伐克研究人员将使用连续溶剂模型与随机游走技术相结合，而美国研究人员将使用离散溶剂分子动力学模拟。该项目应该对寻找分子构象势能表面的方法进行全面的评估。该生物化学项目通过使美国和东欧的领先专家在共同感兴趣和能力强的领域结合互补的人才和汇集资源，实现了推进科学知识的计划目标。

This US-Czechoslovakia research project between Dr. Carol A. Venanzi of the New Jersey Institute of Technology and Dr. Tibor Kozar of the Biophysics Institute of the Institute of Experimental Physics, Kosice, Czechoslovakia will study the solvent effects on the conformation of a set of artificial enzymes. Each group will bring to this collaboration its own expertise. The Slovak investigators will apply the random walk molecular mechanics method to the conformational analysis of the artificial enzymes in the gas phase. Results will be used to evaluate the technique in terms of the U.S. investigators' distance geometry and molecular dynamics results. Both groups will study the solvent effects on molecular conformation; the Slovak investigators will use the continuum solvent model in conjunction with the random walk technique while the U.S. investigators will use discrete solvent molecular dynamics simulations. The project should yield a thorough evaluation of methods for searching for the conformational potential energy surface of a molecule. This project in biochemistry fulfills the program objective of advancing scientific knowledge by enabling leading experts in the United States and Eastern Europe to combine complementary talents and pool resources in areas of strong mutual interest and competence.