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Asim Alenaizan
Group Position: Graduate Student
Professor, King Fahd University of Petroleum and Minerals
Educational Background
  • B.S. Physics, King Fahd University of Petroleum and Minerals, Saudi Arabia, 2016
  • B.S. Chemistry, King Fahd University of Petroleum and Minerals, Saudi Arabia, 2016
  • Ph.D. Chemistry, Georgia Tech, 2021
PhD. Thesis

     Computational Analysis of the Structure and Noncovalent Interactions of Nucleic Acids and their Analogs

Research Interests

     Pi stacking in nucleic acids

Representative Publications

``Quantum Chemistry Common Driver and Databases (QCDB) and Quantum Chemistry Engine (QCEngine): Automation and Interoperability Among Computational Chemistry Programs,'' D. G. A. Smith, A. T. Lolinco, Z. L. Glick, J. Lee, A. Alenaizan, T. A. Barnes, C. H. Borca, R. Di Remigio, D. L. Dotson, S. Ehlert, A. G. Heide, M. F. Herbst, J. Hermann, C. B. Hicks, J. T. Horton, A. G. Hurtado, P. Kraus, H. Kruse, S. J. R. Lee, J. P. Misiewicz, L. N. Naden, F. Ramezanghorbani, M. Scheurer, J. B. Schriber, A. C. Simmonett, J. Steinmetzer, J. R. Wagner, L. Ward, M. Welborn, D. Atlarawy, J. Anwar, J. D. Chodera, A. Dreuw, H. T. Kulik, F. Liu, T. J. Martínez, D. A. Matthews, H. F. Schaefer, J. Šponer, J. T. Turney, L.-P. Wang, N. De Silva, R. A. King, J. F. Stanton, M. S. Gordon, T. L. Windus, C. D. Sherrill, and L. A. Burns, J. Chem. Phys. 155, 204801 (2021) (doi: 10.1063/5.0059356)

``Tuning DNA Supramolecular Polymers by the Addition of Small, Functionalized Nucleobase Mimics,'' C. Lachance-Brais, C. D. Hennecker, A. Alenaizan, X. Luo, V. Toader, M. Taing, C. D. Sherrill, A. K. Mittermaier, and H. F. Sleiman, J. Am. Chem. Soc. 143, 19824-19833 (2021) (doi: 10.1021/jacs.1c08972)

``X-ray Fiber Diffraction and Computational Analyses of Stacked Hexads in Supramolecular Polymers: Insight Into Self-Assembly in Water by Prospective Prebiotic Nucleobases,'' A. Alenaizan, C. H. Borca, S. C. Karunakaran, A. K. Kendall, Stubbs. G. , G. B. Schuster, C. D. Sherrill, and N. V. Hud, J. Am. Chem. Soc. 143, 6079-6094 (2021) (doi: 10.1002/chem.202004390)

``Noncovalent Helicene Structure Between Nucleic Acids and Cyanuric Acid,'' A. Alenaizan, K. Fauche, R. Krishnamurthy, and C. D. Sherrill, Chem. Eur. J. 27, 4043 (2021) (doi: 10.1002/chem.202004390)

``The Proto-Nucleic Acid Builder: A Software Tool for Constructing Nucleic Acid Analogs,'' A. Alenaizan, J. L. Barnett, N. V. Hud, C. D. Sherrill, and A. S. Petrov, Nucleic Acids Res. 49, 79-89 (2021) (doi: 10.1093/nar/gkaa1159)

`` PSI4 1.4: Open-Source Software for High-Throughput Quantum Chemistry,'' D. G. A. Smith, L. A. Burns, A. C. Simmonett, R. M. Parrish, M. C. Schieber, R. Galvelis, P. Kraus, H. Kruse, R. Di Remigio, A. Alenaizan, A. M. James, S. Lehtola, J. P. Misiewicz, M. Scheurer, R. A. Shaw, J. B. Schriber, Y. Xie, Z. L. Glick, D. A. Sirianni, J. S. O'Brien, J. M. Waldrop, A. Kumar, E. G. Hohenstein, B. P. Pritchard, B. R. Brooks, H. F. Schaefer, A. Yu. Sokolov, K. Patkowski, A. E. DePrince, U. Bozkaya, R. A. King, F. A. Evangelista, J. M. Turney, T. D. Crawford, and C. D. Sherrill, J. Chem. Phys. 152, 184108 (2020) (doi: 10.1063/5.0006002)

``Python Implementation of the Restrained Electrostatic Potential Charge Model,'' A. Alenaizan, L. A. Burns, and C. D. Sherrill, Int. J. Quantum Chem. 120, e26035 (2020) (doi: 10.1002/qua.26035)

`` PSI4NUMPY: An Interactive Quantum Chemistry Programming Environment for Reference Implementations and Rapid Development,'' D. G. A. Smith, L. A. Burns, D. A. Sirianni, D. R. Nascimento, A. Kumar, A. M. James, J. B. Schriber, T. Zhang, B. Zhang, A. S. Abbott, E. J. Berquist, M. H. Lechner, L. A. Cunha, A. G. Heide, J. M. Waldrop, T. Y. Takeshita, A. Alenaizan, D. Neuhauser, R. A. King, A. C. Simmonett, J. M. Turney, H. F. Schaefer, F. A. Evangelista, A. E. DePrince, T. D. Crawford, K. Patkowski, and C. D. Sherrill, J. Chem. Theory Comput. 14, 3504-3511 (2018) (doi: 10.1021/acs.jctc.8b00286)

``Assessment of Density Functional Methods for Geometry Optimization of Biomolecular Van Der Waals Complexes,'' D. A. Sirianni, A. Alenaizan, D. L. Cheney, and C. D. Sherrill, J. Chem. Theory Comput. 14, 3004-3013 (2018) (doi: 10.1021/acs.jctc.8b00114)

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Georgia Institute of Technology
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