Academic Profile

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Academic Profile

Assoc Prof Lu Lanyuan


Associate Professor

School of Biological Sciences
College of Science

Email: LYLU@NTU.EDU.SG
Phone: (+65)63162866
Office: SBS-03s-82

Education
  • PhD in Chemistry University of North Carolina,Chapel Hill 2007
  • BS in Chemistry Xiamen University 2001
Biography
Professional Experience
●Assistant Professor, Division of Structural and Computational Biology, School of Biological Sciences, Nanyang Technological University, Singapore: Since September 2011.
●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
  • An Integrated framework to study the dynamics of biological structures
  • 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
  • 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
  • Systematic Studies of Reverse Gyrase-Affiliated Positive DNA Supercoils
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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