Academic Profile

Academic Profile

Assoc Prof Lu Lanyuan

Associate Professor, School of Biological Sciences

Assoc Prof Lu Lanyuan

BS (2001), Xiamen University, PRC
Ph.D. (2007), University of North Carolina at Chapel Hill, USA

Professional Experience
●Associate Professor, School of Biological Sciences, Nanyang Technological University, Singapore: 2017-present.
●Assistant Professor, School of Biological Sciences, Nanyang Technological University, Singapore: 2011-2017.
●Computational Postdoctoral Fellow, Computation Institute, Argonne National Laboratory: 2010-2011.
●Postdoctoral research fellow, Department of Chemistry, University of Chicago: 2010.
●Postdoctoral research fellow, Department of Chemistry and Center for Biological Modeling and Simulation, University of Utah: 2007-2010.
Research Interests
●Developing computational methods for multiscale modeling of biomolecular systems.
● Coarse-grained simulations of biomembranes, peptides, and proteins.
Current Projects
  • Cloud Application and Database for Protein Functional Motions
  • Examination on Disintegration of Non-B DNA Structures by DNA Helicase-Affiliated Positive DNA Supercoils from Theoretical and Experimental Perspectives
  • Examination on disintegration of non-B DNA structures by DNA helicase-affiliated positive DNA supercoils from both theoretical and experimental perspectives
  • Experiment-aided Molecular Modeling: Applications to Atomistic and Coarse-Grained Simulations
  • Investigating the protein phase behavior in polarized fungal growth by coarse-grained molecular simulation
  • Modeling Protein-Protein Interactions Using a Novel Knowledge-based Potential
  • Modeling small angle X-ray scattering data of multi-domain proteins by coarse-grained molecular dynamics simulations and Boltzmann reweighting
  • Multiscale coarse-graining via cloud computing
Selected Publications
  • Xia, F; Tong, DD; Yang, LF; Wang, DY; Hoi, SCH; Koehl, P; Lu, LY. (2014). Identifying Essential Pairwise Interactions in Elastic Network Model Using the Alpha Shape Theory. Journal of Computational Chemistry, 35(15), 1111-1121.
  • Fei Xia, Dudu Tong and Lanyuan Lu. (2013). Robust Heterogeneous Anisotropic Elastic Network Model Precisely Reproduces the Experimental B-factors of Biomolecules. Journal of Chemical Theory and Computation, 9(8), 3704-3714.
  • Fei Xia and Lanyuan Lu. (2012). Multiscale Coarse-Graining via Normal Mode Analysis. Journal of Chemical Theory and Computation, 8(11), 4797-4806.
  • Lu LY and Voth GA. (2011). The Multiscale Coarse-Graining Method. Advances in Chemical Physics, 149, 47-81.
  • Lu LY, Izvekov S, Das A, Andersen HC and Voth GA. (2010). Efficient, regularized, and scalable algorithms for multiscale coarse-graining calculations. Journal of Chemical Theory and Computation, 6(3), 954.

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