2004 - Fellow of Alfred P. Sloan Foundation
His primary areas of investigation include Computational chemistry, Stereochemistry, Density functional theory, QM/MM and Tight binding. The Computational chemistry study combines topics in areas such as Compressibility and Catalysis. Qiang Cui has included themes like ATPase, Protein subunit, Molecular motor, DNA and ATP synthase in his Stereochemistry study.
His research investigates the link between Protein subunit and topics such as Conformational change that cross with problems in Molecular dynamics. His Molecular dynamics study combines topics from a wide range of disciplines, such as Molecular model and Computational science. He has researched QM/MM in several fields, including Electrostatics, Physical chemistry, Thermodynamics, Molecular physics and Ion.
Qiang Cui mostly deals with Molecular dynamics, Chemical physics, Biophysics, Computational chemistry and Stereochemistry. His research in Molecular dynamics tackles topics such as Crystallography which are related to areas like Protein structure. His Chemical physics study incorporates themes from Nanotechnology, Electrostatics, Molecule, Lipid bilayer and Proton.
His research in Computational chemistry intersects with topics in Ab initio and Solvent. His Stereochemistry study combines topics in areas such as Active site, Catalysis, Substrate and Enzyme. His work in Density functional theory addresses issues such as Tight binding, which are connected to fields such as Charge density.
His primary scientific interests are in Biophysics, Molecular dynamics, Chemical physics, Membrane and Lipid bilayer. His research on Biophysics also deals with topics like
His research on Chemical physics also deals with topics like
Surface charge together with Charge density,
Tight binding which is related to area like Spin states and Density functional theory. His Membrane study also includes
Corona most often made with reference to Nanoparticle,
Antibiotics, which have a strong connection to Membrane protein. The concepts of his Lipid bilayer study are interwoven with issues in Electrostatics, Bilayer and Hydrogen bond.
His primary scientific interests are in Biophysics, Lipid bilayer, Membrane, Molecular dynamics and Bilayer. His Biophysics research integrates issues from Exocytosis, Cell membrane, Microsecond, Small molecule and Protein structure. His Lipid bilayer research is multidisciplinary, relying on both Helix and Hydrogen bond.
Molecular dynamics is a subfield of Computational chemistry that Qiang Cui explores. His Computational chemistry research incorporates elements of Statistical physics, Orders of magnitude and Transition state. His work carried out in the field of Bilayer brings together such families of science as Chemical physics, Nanoparticle and Adsorption.
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CHARMM: the biomolecular simulation program.
B. R. Brooks;C. L. Brooks;A. D. Mackerell;L. Nilsson.
Journal of Computational Chemistry (2009)
DFTB3: Extension of the self-consistent-charge density-functional tight-binding method (SCC-DFTB).
Michael Gaus;Qiang Cui;Marcus Elstner.
Journal of Chemical Theory and Computation (2011)
A QM/MM Implementation of the Self-Consistent Charge Density Functional Tight Binding (SCC-DFTB) Method
Qiang Cui;Marcus Elstner;Efthimios Kaxiras;and Thomas Frauenheim.
Journal of Physical Chemistry B (2001)
Allostery and cooperativity revisited.
Qiang Cui;Martin Karplus.
Protein Science (2008)
Normal mode analysis : theory and applications to biological and chemical systems
Qiang Cui;Ivet Bahar.
Extension of the Self-Consistent-Charge Density-Functional Tight-Binding Method: Third-Order Expansion of the Density Functional Theory Total Energy and Introduction of a Modified Effective Coulomb Interaction
Yang Yang;Haibo Yu;Darrin York;Qiang Cui.
Journal of Physical Chemistry A (2007)
Development of effective quantum mechanical/molecular mechanical (QM/MM) methods for complex biological processes.
Demian Riccardi;Patricia Schaefer;Yang Yang;Haibo Yu.
Journal of Physical Chemistry B (2006)
FTO-Mediated Formation of N6-Hydroxymethyladenosine and N6-Formyladenosine in Mammalian RNA
Ye Fu;Guifang Jia;Xueqin Pang;Xueqin Pang;Richard N. Wang.
Nature Communications (2013)
Semiempirical Quantum Mechanical Methods for Noncovalent Interactions for Chemical and Biochemical Applications
Anders S. Christensen;Tomáš Kubař;Qiang Cui;Marcus Elstner.
Chemical Reviews (2016)
Parameterization of DFTB3/3OB for Sulfur and Phosphorus for Chemical and Biological Applications.
Michael Gaus;Xiya Lu;Marcus Elstner;Qiang Cui.
Journal of Chemical Theory and Computation (2014)
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