《分子建模雜志》專注于“核心”建模，出版高質(zhì)量的研究和報(bào)告。成立于1995年，是一家純電子雜志，它調(diào)整了其格式，包括全彩印刷版，并調(diào)整了其目標(biāo)和范圍，以適應(yīng)快速變化的分子建模領(lǐng)域，特別關(guān)注三維建模。今天，該雜志涵蓋了分子模型的各個方面，包括生命科學(xué)模型、材料模型、新方法和計(jì)算化學(xué)。主題包括計(jì)算機(jī)輔助分子設(shè)計(jì)；合理藥物設(shè)計(jì)、從頭設(shè)計(jì)配體、受體建模和對接；化學(xué)信息學(xué)、數(shù)據(jù)分析、可視化和挖掘；計(jì)算藥物化學(xué)；同源建模；肽、DNA和其他生物聚合物的模擬；定量構(gòu)效關(guān)系（QSAR）和ADME。-建模；生物反應(yīng)機(jī)制的建模；以及計(jì)算起主要作用的實(shí)驗(yàn)和計(jì)算研究。封面：封面設(shè)計(jì)基于德國達(dá)姆施塔特Molcad GmbH J.Brickmann教授設(shè)計(jì)和計(jì)算的圖形。

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.Cover : The cover design is based on graphics designed and computed by Prof. J. Brickmann, Molcad GmbH, Darmstadt, Germany.