Gaoang Wang, Jiahui Yu, Hongyan Du, Chao Shen, Xujun Zhang, Yifei Liu, Yangyang Zhang, Dongsheng Cao, Peichen Pan, Tingjun Hou. Journal of Chemical Information and Modeling 2018, 58 TCMAnalyzer: A Chemo- and Bioinformatics Web Service for Analyzing Traditional Chinese Medicine. Zhihong Liu, Jiewen Du, Xin Yan, Jiali Zhong, Lu Cui, Jinyuan Lin, Lizhu Zeng, Peng Ding, Pin Chen, Xinxin Zhou, Huihao Zhou, Qiong Gu, Jun Xu. Disseminating a Free, Practical Java Tool To Interactively Generate and Edit 2D Chemical Structures. Real-Time Interactive Simulation and Visualization of Organic Molecules. Gandhi, Sebastian Jakymiw, Rainier Barrett, Harshita Mahaseth, Andrew D. Journal of Chemical Information and Modeling 2022, 62 Organic Compound Synthetic Accessibility Prediction Based on the Graph Attention Mechanism. Jiahui Yu, Jike Wang, Hong Zhao, Junbo Gao, Yu Kang, Dongsheng Cao, Zhe Wang, Tingjun Hou. Thank you for being a part of my life.This article is cited by 14 publications. I still remember working with you on my first modeling simulation, an LJ particle system of noble gases. Professor Geissler was one of my thesis advisors and a wonderful mentor when I was a PhD student at the University of California, Berkeley. 
My work on this update is dedicated to the late Professor Phillip Geissler, who sadly passed away a few weeks ago.
Thank you to Stephane Redon for sharing the benchmark files, please check out his work. paper, which is a very well developed algorithm. One of the included bond order perception algorithms is an implementation of the Artemova et al.
Major new features include the ability to perform full scene modeling simulations, an implementation of the FIRE optimizer, 3D molecular structure alignment, improved bond deduction with new bond order perception algorithms, and more.
We are pleased to introduce version 6.6 of our #ChemDoodle 3D software.
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