CHARMM-GUI KIAS School

 

September 23 - 25, 2019         Rm8101 of Buld.8, KIAS, Seoul

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Molecular modeling and simulation are important tools in biological sciences, as they provide insight into structures, dynamics, and underlying mechanisms of such systems, which are difficult to obtain from experimental data alone. In the past decade, the number of scientists using molecular simulations has expanded enormously, beyond the community of computational physicists and chemists that developed algorithms and force fields. An i ssue that is not always fully appreciated is the difficulty to prepare and initiate the complex computational tasks needed to achieve a specific objective. For example, setting up biomolecular simulations remains a complicated task, particularly when systems involve lipids, carbohydrates, modified proteins, complex solvents, etc. The choice of the most efficient software also depends on the platform and specificity of the system studied.

CHARMM-GUI is a web-based graphical user interface (GUI) to interactively setup complex biomolecular systems and input files for simulations using CHARMM, NAMD, GROMACS, AMBER, GENESIS, TINKER, LAMMPS, Desmond, and OpenMM programs. CHARMM-GUI now contains a number of different modules designed to setup a broad range of simulations to carry out innovative and novel biomolecular modeling and simulation research. In addition, the development of online lecture series on molecular modeling and simulation is ongoing in CHARMM-GUI Lectures. We will use these modules for lectures and tutorials in this School.

 

 

Organizers

Changbong Hyeon (KIAS) 

Wonpil Im (Lehigh U/KIAS)

 

 

Lecturers

Bernie Brooks (NIH)

Yeol Kyo Choi (Lehigh U)
Wonpil Im (Lehigh U/KIAS)
Sunhwan Jo (SilcsBio)
Nathan Kern (Lehigh U)
Seonghoon Kim (Lehigh U) 
Jeffery Klauda (U of Maryland) 

Jumin Lee (Lehigh U)
Siewert-Jan Marrink (U of Groningen)
Yifei Qi (East China Normal U)
Yuji Sugita (RIKEN)