D-Index & Metrics Best Publications

D-Index & Metrics D-index (Discipline H-index) only includes papers and citation values for an examined discipline in contrast to General H-index which accounts for publications across all disciplines.

Discipline name D-index D-index (Discipline H-index) only includes papers and citation values for an examined discipline in contrast to General H-index which accounts for publications across all disciplines. Citations Publications World Ranking National Ranking
Chemistry D-index 81 Citations 25,266 293 World Ranking 1875 National Ranking 732

Research.com Recognitions

Awards & Achievements

2004 - Fellow of Alfred P. Sloan Foundation

Overview

What is he best known for?

The fields of study he is best known for:

  • Enzyme
  • Quantum mechanics
  • Gene

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.

His most cited work include:

  • CHARMM: the biomolecular simulation program. (4881 citations)
  • Allostery and cooperativity revisited. (486 citations)
  • DFTB3: Extension of the self-consistent-charge density-functional tight-binding method (SCC-DFTB). (466 citations)

What are the main themes of his work throughout his whole career to date?

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.

He most often published in these fields:

  • Molecular dynamics (23.10%)
  • Chemical physics (20.13%)
  • Biophysics (15.84%)

What were the highlights of his more recent work (between 2015-2021)?

  • Biophysics (15.84%)
  • Molecular dynamics (23.10%)
  • Chemical physics (20.13%)

In recent papers he was focusing on the following fields of study:

His primary scientific interests are in Biophysics, Molecular dynamics, Chemical physics, Membrane and Lipid bilayer. His research on Biophysics also deals with topics like

  • Protein structure together with Myosin and Crystallography,
  • Transmembrane domain which intersects with area such as Nuclear magnetic resonance spectroscopy. Molecular dynamics is a subfield of Computational chemistry that Qiang Cui investigates.

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.

Between 2015 and 2021, his most popular works were:

  • Semiempirical Quantum Mechanical Methods for Noncovalent Interactions for Chemical and Biochemical Applications (131 citations)
  • QM/MM free energy simulations: recent progress and challenges. (47 citations)
  • Dynamics and number of trans-SNARE complexes determine nascent fusion pore properties (44 citations)

In his most recent research, the most cited papers focused on:

  • Enzyme
  • Quantum mechanics
  • Gene

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.

This overview was generated by a machine learning system which analysed the scientist’s body of work. If you have any feedback, you can contact us here.

Best Publications

CHARMM: the biomolecular simulation program.

B. R. Brooks;C. L. Brooks;A. D. Mackerell;L. Nilsson.
Journal of Computational Chemistry (2009)

7284 Citations

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)

828 Citations

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)

669 Citations

Allostery and cooperativity revisited.

Qiang Cui;Martin Karplus.
Protein Science (2008)

668 Citations

Normal mode analysis : theory and applications to biological and chemical systems

Qiang Cui;Ivet Bahar.
(2005)

382 Citations

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)

341 Citations

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)

328 Citations

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)

316 Citations

Semiempirical Quantum Mechanical Methods for Noncovalent Interactions for Chemical and Biochemical Applications

Anders S. Christensen;Tomáš Kubař;Qiang Cui;Marcus Elstner.
Chemical Reviews (2016)

285 Citations

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)

251 Citations

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