Molecular modelling techniques in environmental research

R. Urniaz, Ewelina Rutkowska, J. Jastrzębski, Paweł Książek, K. Rudnicka
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Abstract

Over the last few decades significant increase in computational methods ( in silico ) was annotated. Novel methods have been developed and applied for hypothesis improvement and testing in regions of industrial, pharmaceutical and environmental research. The term in silico methods include variety of approaches. Considerable attention has been attracted to databases, data analysis tools, quantitative structure-activity relationships (QSAR), pharmacophore models, molecular docking and dynamics, pharmacokinetics and other molecular modelling techniques. In silico methods are often accompanied
环境研究中的分子模拟技术
在过去的几十年里,计算方法(计算机)有了显著的增长。在工业、制药和环境研究领域,已经开发并应用了新的方法来改进和检验假设。“计算机方法”一词包括各种方法。数据库、数据分析工具、定量构效关系(QSAR)、药效团模型、分子对接与动力学、药代动力学等分子建模技术备受关注。计算机方法常常伴随而来
本文章由计算机程序翻译,如有差异,请以英文原文为准。
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