Nandou Lu - Concepedia

Author

Nandou Lu

University at Buffalo, State University of New York ORCID

Also Known As

Nandou Lu

Publications

871

Citations

H-Index

Concepts

All Affiliations

University at Buffalo, State University of New York Johns Hopkins University Johns Hopkins Medicine

About

Nandou Lu is an author at University at Buffalo, State University of New York specializing in computational chemistry, engineering, and natural sciences.

Top Concepts

#	Concept	H-Index	Publications	Citations
1	Engineering	9	9	829
2	Natural Sciences	8	8	614
3	Chemistry	3	3	258
4	Biochemistry	2	2	197
5	Data Science	1	1	10

Nandou Lu

Publications

829

Citations

H-Index

Page 1

	Year	Citations
Appropriate methods to combine forward and reverse free-energy perturbation averages Nandou Lu, Jayant K. Singh, David A. Kofke The Journal of Chemical Physics Numerical AnalysisFree EnergyEngineeringExperimental ThermodynamicsComputational Chemistry	2003	215
Accuracy of free-energy perturbation calculations in molecular simulation. I. Modeling Nandou Lu, David A. Kofke The Journal of Chemical Physics EngineeringComputational ChemistryEnergy MinimizationMolecular DynamicsFree-energy Perturbation	2001	172
Improving the efficiency and reliability of free energy perturbation calculations using overlap sampling methods Nandou Lu, David A. Kofke, Thomas B. Woolf Journal of Computational Chemistry Numerical AnalysisEngineeringEnergy EfficiencyDirect FepComputational Chemistry	2003	159
Accuracy of free-energy perturbation calculations in molecular simulation. II. Heuristics Nandou Lu, David A. Kofke The Journal of Chemical Physics EngineeringComputational ChemistryMolecular DynamicsFep CalculationsMolecular Design	2001	121
Optimal intermediates in staged free energy calculations Nandou Lu, David A. Kofke The Journal of Chemical Physics Numerical AnalysisMathematical ProgrammingEngineeringOptimal IntermediatesComputational Chemistry	1999	53
Staging Is More Important than Perturbation Method for Computation of Enthalpy and Entropy Changes in Complex Systems Nandou Lu, David A. Kofke, Thomas B. Woolf The Journal of Physical Chemistry B Numerical AnalysisStaged IntermediatesEngineeringEnthalpy DeterminationComplex Systems	2003	46
Using overlap and funnel sampling to obtain accurate free energies from nonequilibrium work measurements Nandou Lu, Di Wu, Thomas B. Woolf, Physical Review E Free EnergyEngineeringNonequilibrium Work MeasurementsMeasurementMolecular Biology	2004	38
Variational formula for the free energy based on incomplete sampling in a molecular simulation Nandou Lu, Jhumpa Adhikari, David A. Kofke Physical review. E, Statistical physics, plasmas, fluids, and related interdisciplinary topics Numerical AnalysisFree EnergyEngineeringComputational ChemistryComputational Mechanics	2003	15
Using non-Gaussian density functional fits to improve relative free energy calculations Hirsh Nanda, Nandou Lu, Thomas B. Woolf The Journal of Chemical Physics EngineeringSimulationComputational ChemistryMarkov Chain Monte CarloEnergy Minimization	2005	10

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