US-Czechoslovakia Research On Solvation Of Artificial Enzymes

新泽西理工学院的Carol A.Venanzi博士和捷克斯洛伐克科西斯市实验物理研究所生物物理研究所的Tibor Kozar博士开展的这项美国-捷克斯洛伐克研究项目将研究溶剂对一组人造酶构象的影响。每个小组都将把自己的专业知识带到这次合作中。斯洛伐克研究人员将应用随机游走分子力学方法对气相中的人造酶进行构象分析。结果将被用来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；斯洛伐克的研究人员将结合随机行走技术使用连续溶剂模型，而美国的研究人员将使用离散的溶剂分子动力学模拟。该项目应该对寻找分子构象势能面的方法进行彻底的评估。这个生物化学项目通过使美国和东欧的顶尖专家能够将互补的人才结合在一起，并在相互感兴趣和能力很强的领域汇集资源，从而实现了促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.