理化学研究所 計算科学研究センター

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第190回 第1部

第190回 第1部
日時: 2020年2月3日(月)、13:00 - 13:40
場所: R-CCS 6階講堂

・講演題目:Recent advances in coarse-grained modeling of biomolecules and the implementation in GENESIS
・講演者:Cheng Tan(粒子系生物物理研究チーム)
※発表・スライド共に英語

講演要旨: 詳細を見る

Compared with all-atom force fields, early coarse-grained (CG) models were once considered as "toys" to study qualitative properties of biophsical processes such as protein folding. However, as people's interest increases in large-scale biological phenomenons, such as genome organization, liquid-liquid phase separation, and virus capsid assembly, CG models begin to show their advantage in lower computational cost. On the other hand, recent development of the CG models also gained great success in improving the accuracy. We first review the advances of the latest CG models for protein, DNA, and RNA. We then describe the currenet progress of the implementation of these models in the MD software GENESIS. At last, we show some simple applications of the CG simulations with GENESIS.