Estimation of Drug-Target Residence Times by τ-Random Acceleration Molecular Dynamics Simulations
通过 τ 随机加速分子动力学模拟估计药物-靶标停留时间
期刊:Journal of Chemical Theory and Computation
影响因子:5.7
doi:10.1021/acs.jctc.8b00230
Daria B Kokh, Marta Amaral, Joerg Bomke, Ulrich Grädler, Djordje Musil, Hans-Peter Buchstaller, Matthias K Dreyer, Matthias Frech, Maryse Lowinski, Francois Vallee, Marc Bianciotto, Alexey Rak, Rebecca C Wade
