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Publications in Computer Science Applications

Issue Publication Information

Journal of Chemical Theory and Computation
Theoretical ChemistryComputer Science ApplicationsPhysical
2018English

Bridging Causal Relevance and Pattern Discriminability: Mining Emerging Patterns From High-Dimensional Data

IEEE Transactions on Knowledge and Data Engineering
Computational TheoryComputer Science ApplicationsInformation SystemsMathematics
2013English

Large-Scale Benchmark of Exchange-Correlation Functionals for the Determination of Electronic Band Gaps of Solids

Journal of Chemical Theory and Computation
Theoretical ChemistryComputer Science ApplicationsPhysical
2019English

Divide-Expand-Consolidate Second-Order Møller-Plesset Theory With Periodic Boundary Conditions

Journal of Chemical Theory and Computation
Theoretical ChemistryComputer Science ApplicationsPhysical
2018English

SAXS-Guided Metadynamics

Journal of Chemical Theory and Computation
Theoretical ChemistryComputer Science ApplicationsPhysical
2015English

Time-Dependent Double-Hybrid Density Functionals With Spin-Component and Spin-Opposite Scaling

Journal of Chemical Theory and Computation
Theoretical ChemistryComputer Science ApplicationsPhysical
2017English

A Multiscale Simulation Approach to Modelling Drug-Protein Binding Kinetics

Journal of Chemical Theory and Computation
Theoretical ChemistryComputer Science ApplicationsPhysical
2018English

Detection of Long-Range Concerted Motions in Protein by a Distance Covariance

Journal of Chemical Theory and Computation
Theoretical ChemistryComputer Science ApplicationsPhysical
2012English

Fast Calculation of Protein-Protein Binding Free Energies Using Umbrella Sampling With a Coarse-Grained Model

Journal of Chemical Theory and Computation
Theoretical ChemistryComputer Science ApplicationsPhysical
2018English

Optimal Selling Scheme for Heterogeneous Consumers With Uncertain Valuations

Mathematics of Operations Research
Management ScienceComputer Science ApplicationsOperations ResearchMathematics
2011English

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