Synthesis, design, and optimization of a potent and selective series of pyridylpiperazines as promising antimalarial agents.
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https://zenodo.org/record/10993376
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资源简介：
MD simulations of the Dihydroorotate dehydrogenase (DHODH) from P. falciparum with different potential inhibitors, details are available in the respective publication
1311- PfDHO Dihydroorotate dehydrogenase (DHODH) 48k atoms - PDB 4CQ8, chain A, within natural conditions, T3P, OPLS4, 10A3 1312- PfDHODH PDB 4RX0 (DSM265 -control cpd), chain A, T3P, OPLS4, 10A31313- PfDHODH 48k atoms - PDB 4CQ8 + cpd7, chain A, within natural conditions, T3P, OPLS4, 10A3 1314- PfDHODH 48k atoms - PDB 4CQ8 + cpd9, chain A, within natural conditions, T3P, OPLS4, 10A3 1315- PfDHODH 48k atoms - PDB 4CQ8 + cpd20, chain A, within natural conditions, T3P, OPLS4, 10A31316- PfDHODH 48k atoms - PDB 4CQ8 + cpd23, chain A, within natural conditions, T3P, OPLS4, 10A3
1317- PfDHODH 48k atoms - PDB 4CQ8 + cpd23, chain A, within natural conditions, T3P, OPLS4, 10A3
创建时间：
2025-01-14
