News, Press Release and Featured Articles
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Elucidation of the mechanism of the production of antibodies against polyethylene glycol
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Conformational dynamics and allostery elucidate how GPCR couple to multiple G-proteins, offering mechanistic insights into coupling-promiscuity and novel drug discovery strategies
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New Toolkit Makes Molecular Dynamics Simulations More Accessible!
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Visualizating the dissociation process of cancer suppressor proteins from DNA
Elucidate the relationship between amino acid mutations related to oncogenesis
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Anti-Nsp15 compounds against SARS-CoV-2 were identified.
RNA structure model bound Nsp15 was also constructed.
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Conformational Equilibria in GPCRs provides critical clues about activation mechanisms.
We contributed to the MD part
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Our image appeard as the front cover of J. Phys. Chem. B.
Dissociation Process of a MDM2/p53 Complex Investigated by Parallel Cascade Selection Molecular Dynamics and the Markov State Model
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Our image appeard as the front cover of Phys. Chem. Chem. Phys.
Origins of biological function in DNA and RNA hairpin loop motifs from replica exchange molecular dynamics simulation -
Mechanism of biological multi-fuel engine
Elucidating flagellar motor ion transfer process -
Introduced by ACS PressPac
Virus uses 'Swiss Army Knife' protein to cause infection -
J. Chem. Phys. selected our article as Issue cover and Featured article.
Detecting coupled collective motions in protein by independent subspace analysis