Estimation of relative drug-target residence times by random acceleration molecular dynamics simulation
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Estimation of relative drug-target residence times by random acceleration molecular dynamics simulation Descriptor: 4-ethyl-6-[4-(2-fluorophenyl)-3-methyl-1~{H}-pyrazol-5-yl]benzene-1,3-diol, Heat shock protein HSP 90-alpha Authors: Musil, D, Lehmann, M, Eggenweiler, H.-M. Deposit date: 2017-09-29 Release date: 2018-05-30 Last modified: 2024-05-08 Method: X-RAY DIFFRACTION (1.8 Å) Cite: Estimation of Drug-Target Residence Times by tau-Random Acceleration Molecular Dynamics Simulations. J Chem Theory Comput, 14, 2018
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2017-09-29
