MiMiCPy-FM: A User-Friendly Force Matching Tool for Extending the Time Scale of QM/MM MD MiMiC SimulationsMiMiCPy-FM：一种用于扩展量子力学/分子力学分子动力学MiMiC模拟时间尺度的用户友好力匹配工具Journal of Chemical Information and ModelingIF5.32026-02-010OA
Quantum ESPRESSO: One Further Step toward the ExascaleJOURNAL OF CHEMICAL THEORY AND COMPUTATIONIF5.52023-07-3137OAAI
Multidimensional View of Amyloid Fibril Nucleation in Atomistic DetailJOURNAL OF THE AMERICAN CHEMICAL SOCIETYIF15.62012-02-1676PREAI
Biased molecular simulations for free-energy mapping: A comparison on the KcsA channel as a test caseJOURNAL OF CHEMICAL THEORY AND COMPUTATIONIF5.52007-12-1134PREAI
Computational analysis of current and noise properties of a single open ion channelJOURNAL OF CHEMICAL THEORY AND COMPUTATIONIF5.52006-11-035PRE
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