领域:生物产业 学校:复旦大学职称:副教授
计算及结构生物学、生物热力学及统计力学。研究开发高效、准确的自由能运算方法用来研究蛋白质折叠、蛋白质与配体之间的相互作用,以及一些相关疾病。
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1.D. Wu and D. A. Kofke, "Phase-space overlap measures. 2. Design and implementation of staging methods for free energy calculations", J. Chem. Phys. 123, 084109 (2005).
2.D. Wu and D. A. Kofke, "Phase-space overlap measures. 1. Fail-safe bias detection in free energies calculated by molecular simulation", J. Chem. Phys. 123, 054103 (2005).
3.D. Wu and D. A. Kofke, "Rosenbluth sampled nonequilibrium work method for calculation of free energies in molecular simulation", J. Chem. Phys. 122, 204104 (2005).
4.D. Wu and D. A. Kofke, "Model for small-sample bias of free-energy calculations applied to Gaussian-distributed nonequilibrium work measurements", J. Chem. Phys. 121, 8742 (2004).