|Academic Profile |
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Assoc Prof Lu Lanyuan
School of Biological Sciences
College of Science
- PhD in Chemistry University of North Carolina,Chapel Hill 2007
- BS in Chemistry Xiamen University 2001
●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.
|●Developing computational methods for multiscale modeling of biomolecular systems.
● Coarse-grained simulations of biomembranes, peptides, and proteins.
- 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
- 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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