X
Xi Cheng
Researcher at Chinese Academy of Sciences
Publications - 63
Citations - 7159
Xi Cheng is an academic researcher from Chinese Academy of Sciences. The author has contributed to research in topics: Medicine & Receptor. The author has an hindex of 17, co-authored 39 publications receiving 4032 citations. Previous affiliations of Xi Cheng include University of Kansas.
Papers
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Journal ArticleDOI
CHARMM-GUI Input Generator for NAMD, Gromacs, Amber, Openmm, and CHARMM/OpenMM Simulations using the CHARMM36 Additive Force Field
Jumin Lee,Xi Cheng,Jason M. Swails,Min Sun Yeom,Peter Eastman,Justin A. Lemkul,Shuai Wei,Joshua Buckner,Jong Cheol Jeong,Yifei Qi,Sunhwan Jo,Vijay S. Pande,David A. Case,Charles L. Brooks,Alexander D. MacKerell,Jeffery B. Klauda,Wonpil Im +16 more
TL;DR: The optimal simulation protocol for each program has been implemented in CHARMM-GUI and is expected to be applicable to the remainder of the additive C36 FF including the proteins, nucleic acids, carbohydrates, and small molecules.
Journal ArticleDOI
CHARMM-GUI Membrane Builder Toward Realistic Biological Membrane Simulations
Emilia L. Wu,Xi Cheng,Sunhwan Jo,Huan Rui,Kevin C. Song,Eder M. Dávila-Contreras,Yifei Qi,Jumin Lee,Viviana Monje-Galvan,Richard M. Venable,Jeffery B. Klauda,Wonpil Im +11 more
TL;DR: The new features and major improvements in Membrane Builder that allow users to robustly build realistic biological membrane systems are described, including addition of new lipid types, including phosphoinositides, cardiolipin (CL), sphingolipids, bacterial lipids, and ergosterol.
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Structure-based design of antiviral drug candidates targeting the SARS-CoV-2 main protease.
Wenhao Dai,Wenhao Dai,Bing Zhang,Xia Ming Jiang,Haixia Su,Jian Li,Jian Li,Yao Zhao,Xiong Xie,Zhenming Jin,Jingjing Peng,Fengjiang Liu,Chunpu Li,You Li,Fang Bai,Haofeng Wang,Xi Cheng,Xiaobo Cen,Shulei Hu,Xiuna Yang,Jiang Wang,Xiang Liu,Gengfu Xiao,Hualiang Jiang,Zihe Rao,Lei Ke Zhang,Yechun Xu,Haitao Yang,Hong Liu +28 more
TL;DR: Two peptidomimetic aldehydes were designed, synthesized, and evaluated as antiviral drug candidates, and both exhibited excellent inhibitory activity and potent anti-SARS-CoV-2 infection activity.
Journal ArticleDOI
CHARMM-GUI Membrane Builder for Complex Biological Membrane Simulations with Glycolipids and Lipoglycans.
Jumin Lee,Dhilon S. Patel,Jonas Ståhle,Sang-Jun Park,Nathan R. Kern,Seonghoon Kim,Joonseong Lee,Xi Cheng,Miguel A. Valvano,Otto Holst,Yuriy A. Knirel,Yifei Qi,Sunhwan Jo,Jeffery B. Klauda,Göran Widmalm,Wonpil Im +15 more
TL;DR: These tools are expected to be useful in innovative and novel glycolipid/LPS/LOS modeling and simulation research by easing tedious and intricate steps in modeling complex biological systems and shall provide insight into structures, dynamics, and underlying mechanisms of complex glycolIPid-/ LPS-/LOS-containing biological membrane systems.
Journal ArticleDOI
CHARMM-GUI Martini Maker for Coarse-Grained Simulations with the Martini Force Field
TL;DR: CHARMM-GUI Martini Maker is developed, which supports 82 lipid types and different flavors of the Martini force field, and is expected to be a useful tool for modeling large, complicated biomolecular systems in a user-friendly way.