Journal of Molecular Modeling

期刊简介：The Journal of Molecular Modeling focuses on "hardcore" modeling, publishing high-quality research and reports. Founded in 1995 as a purely electronic journal, it has adapted its format to include a full-color print edition, and adjusted its aims and scope fit the fast-changing field of molecular modeling, with a particular focus on three-dimensional modeling.Today, the journal covers all aspects of molecular modeling including life science modeling; materials modeling; new methods; and computational chemistry.Topics include computer-aided molecular design; rational drug design, de novo ligand design, receptor modeling and docking; cheminformatics, data analysis, visualization and mining; computational medicinal chemistry; homology modeling; simulation of peptides, DNA and other biopolymers; quantitative structure-activity relationships (QSAR) and ADME-modeling; modeling of biological reaction mechanisms; and combined experimental and computational studies in which calculations play a major role.

【译文】该期刊专注于“硬核”建模，发表高质量的研究和报告。1995年作为一本纯电子期刊成立，它已经调整了其格式以包括全彩印刷版，并调整了其目标和范围以适应快速变化的分子建模领域，特别关注三维建模。如今，该期刊涵盖了分子建模的所有方面，包括生命科学建模；材料建模；新方法；以及计算化学。主题包括计算机辅助分子设计；理性药物设计，从头设计配体，受体建模和对接；化学信息学，数据分析，可视化和挖掘；计算药物化学；同源建模；肽、DNA和其他生物大分子的模拟；定量构效关系（QSAR）和ADME建模；生物反应机制的建模；以及计算在主要作用下的实验和计算相结合的研究。