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46 积分 2023-12-18 加入
Reactive Force Field Modeling of Zinc Oxide Nanoparticle Formation
27天前
已完结
Successful molecular dynamics simulation of the zinc-bound farnesyltransferase using the cationic dummy atom approach
1个月前
已关闭
An extensible interface for QM/MM molecular dynamics simulations with AMBER
1个月前
已完结
Effects of the Nature of Metal Ion, Protein and Substrate on the Catalytic Center in Matrix Metalloproteinase‐1: Insights from Multilevel MD, QM/MM and QM Studies
2个月前
已完结
Spatial and electronic structure of proteins
3个月前
已关闭
A new mixing of Hartree–Fock and local density-functional theories
3个月前
已完结
Tinker‐OpenMM: Absolute and relative alchemical free energies using AMOEBA on GPUs
3个月前
已完结
Molecular Dynamics Investigation of Dipeptide - Transition Metal Salts in Aqueous Solutions
4个月前
已完结
Systematic Derivation of AMBER Force Field Parameters Applicable to Zinc-Containing Systems
5个月前
已完结
Competition among Metal Ions for Protein Binding Sites: Determinants of Metal Ion Selectivity in Proteins
6个月前
已完结
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