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Revised: August, 2007
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Citizenship: Russia. Permanent Residency: United States of America. Present University Department:
Yale University 225 Prospect Street New Haven, CT 06520-8107 Ph.: 203-432-6288 Fax: 203-432-6144 E-mail: anastassia.alexandrova@yale.edu |
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Ph.D. 2005 Theoretical Physical Chemistry. Department of Chemistry and Biochemistry, Utah State University. Predoctoral Computational Analytical Chemistry. Vernadskii Institute of the Russian Academy of Sciences. M.S. 2000 Chemistry. Honor Diploma. Department of Chemistry, Saratov University, Saratov, Russia. GPA=5.0 (Russian grading system: from 1 to 5). B.S. 1998 Chemistry. Department of Chemistry, Saratov University, Saratov, Russia. GPA=5.0 |
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2005 The College of Science, Utah State University Graduate Researcher of the Year 2005. 2005 The Excellence Award of the ACS Chemical Computing Group. 2004-2005 USU School of Graduate Studies Dissertation Fellowship. $5,000. 2004 The Certificate of Recognition from the American Chemical Society for an Extraordinary Contribution to the Success of the 59th Northwest / 18th Rocky Mountain Region al ACS Meeting, 2004. 2004 Poster Award, 59th Northwest / 18th Rocky Mountain Regional ACS Me eting, 2004. 2004-2005 The one-year sponsored membership in AAAS/Science, the AAAS/Science Program for Exc ellency in Science. 2004-2005 Claude E. ZoBell Scholarship for the superior ability to encourage further scientif ic pursuits at Utah State University, College of Science, Utah State University. $1,500. 2004 The Summer Research Institute Fellowship in Interfacial and Condensed Phase Chemical Physica, Pacific Northwest National Laboratory, U.S. Department of Energy. $1,500. 2003-2004 National Dean List. 2003 The Chemistry and Biochemistry Alumni Research Award, Utah State University. 2000 B.S./M.S. Honor Diploma. 2000 Winner of the Russian Regional Olympiad in Chemistry for undergraduate students. 1998-1999. The Scholarship of the Government of Russian Federation for outstanding scientific and academic achievements (#111). 1997-1998 The Scholarship of the Government of Russian Federation for outstanding scienti fic and academic achievements (#69). |
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1997-2000 Undergraduate research assistant, Laboratory of Analytical Chemistry, Department of Chemistry, Saratov University, Saratov. 2000-2001 Visiting researcher, Laboratory of Molecular Modeling, Vernadski Institute of Geochemistry and Analytical Chemistry of the Russian Academy of Science, Moscow, Russia. 2001-2005 Graduate Student/ Research Assistant, Department of Chemistry and Biochemistry, Utah State University, Logan, Utah, USA. Summer 2004 Visiting Researcer at the Environmental Molecular Sciences Laboratory, Pacific Northwest National Lab, Richland, WA, USA. 2005-present Postdoctoral Associate, Department of Chemistry, Yale University. Fall 2007 Visiting researcher, Department of Biochemistry, University of Washington, Laboratory of Prof. David Baker. |
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Spring 1999. Passed Russian Federation State Examination on pedagogy. Fall 1999. Teaching in high school. 15 classes, topics on chemistry of electrolites, acids and bases. Saratov, Russia. Spring 2001. Molecular Spectroscopy. Lecturing. Department of Chemistry, Saratov University, Saratov, Russia. Summer 2001. The Utah State University Teaching Assistant workshop. Spring 2002. General Chemistry 1210 Laboratory, Utah State University. Spring 2003. General Chemistry 1230 Laboratory, Utah State University. Fall 2004. Mentoring an undergraduate research assistant in ab initio calculations on multiply-aromatic boron hydrides (publication in J. Mol. Model.), Utah State University. Spring 2005. Co-mentoring a computer science Master Student programming Monte Carlo for finding global minima of mixed clusters composed of molecules and atoms, Utah State University. Fall 2005. The Yale University workshop entitled "Learning to Mentor Undergraduate Research" (1 Semester). Fall 2006. Mentoring a rotation graduate student in Jorgensen laboratory at Yale University. Ab initio evaluation of hydrogen bonding strength in medicinally promising compounds. Spring 2007. Mentoring online. Graduate student at Saratov University, Russia. QM/MM simulations of protein-DNA complexes. |
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23. On the Origin of Activity of the 34E4 Catalytic Antibody for Kemp Elimination, and its Reduction in the E50D Mutant.Anastassia N. Alexandrova, William L. Jorgensen, manuscript in prepration.22. On the Mechanism and Rate of Decomposition of Amino Acids.Anastassia N. Alexandrova, William L. Jorgensen, manuscript in prepration.21. The Triple Catalytic Power of the Active Site of the CcrA Metallo-β-Lactamase.Anastassia N. Alexandrova, William L. Jorgensen, manuscript in prepration.20. Polarization Effect for Hydrogen-Bonded Complexes of Substituted Phenols with Water.William L. Jorgensen, Kasper P. Jensen, Anastassia N. Alexandrova, J. Chem. Theor. Comput., 2007, 3(6); 1987-1992.19. Why Urea Eliminates Ammonia Rather Than Hydrolyzes in Aqueous Solution.Anastassia N. Alexandrova, William L. Jorgensen, J. Phys. Chem. B, 2007, 111, 720-730.18. Photoelectron Spectra of Multiply Aromatic Small Lithium Clusters from An Initio Calculations.Anastassia N. Alexandrova, Alexander I. BoldyrevInorg. Chem., manuscript in preparation. 17. Alteration of Si62- Structure upon Na+ Coordination in NaSi6-.Dmitry Yu. Zubarev, Anastassia N. Alexandrova, Alexander I. Boldyrev, Li-Feng Cui, Xi Li, Lai-Sheng Wang, J. Chem. Phys. 2006, 124, 124305.16. All-Boron Aromatic Clusters as Potential New Inorganic Ligands and Building Blocks in Chemistry.Anastassia N. Alexandrova, Alexander I. Boldyrev, Hua-Jin Zhai, Lai-Sheng WangCoord. Chem. Rev., 2006, 250, 2811-2866. 15. Theoretical Study of Hydrogenation of Doubly-Aromatic B7-.Anastassia N. Alexandrova, Eldon Koyle, Alexander I. BoldyrevJ. Mol. Model., 2006, 12, 5, 569 - 576. PDF 14. Search for the Lix0/+1/-1 Lowest Energy StructurescUsing Ab Initio Gradient Embedded Genetic Algorithm (GEGA). Elucidation of the Chemical Bonding in the Lithium Clusters.Anastassia N. Alexandrova, Alexander I. BoldyrevJ. Chem. Theory Comput., 2005, 1, 566. PDF 13. Photoelectron Spectroscopy and An Initio Study of the Doubly-Antiaromatic B62- Dianion in the LiB6- Cluster.Anastassia N. Alexandrova, Alexander I. Boldyrev, Hua-Jin Zhai, Lai-Sheng WangJ. Chem. Phys., 2005, 122, 054313. PDF 12. Cu3C4- - A New Sandwich Molecule with Two Revolving C22- Units.Anastassia N. Alexandrova, Alexander I. Boldyrev, Hua-Jin Zhai, Lai-Sheng WangJ. Phys. Chem., 2005, 109, 562. Cover article. PDF 11. Structure of the NaxClx+1- (x=1-4) Clusters via Ab Initio Genetic Algorithm and Photoelectron Spectroscopy.Anastassia N. Alexandrova, Alexander I. Boldyrev, You-Jun Fu, Xin Yang, Xue-Bin Wang, Lai-Sheng WangJ. Chem. Phys., 2004, 121, 5709. PDF 10. Molecular Wheel B82- as a New Inorganic Ligand. Photoelectron Spectroscopy and Ab Initio Characterization of LiB8-.Anastassia N. Alexandrova, Hua-Jin Zhai, Lai-Sheng Wang, Alexander I. BoldyrevInorg. Chem. , 2004, 43, 3552. PDF 9. Arachno-, Nido- and Closo-Aromatic Isomers of the Li6B6H6 Molecule.Anastassia N. Alexandrova, Alexander I. BoldyrevInorg. Chem., 2004, 43, 3588. PDF 8. Electronic Structure, Isomerism, and Chemical Bonding in B7- and B7.Anastassia N. Alexandrova, Alexander I. Boldyrev, Hua-Jin Zhai, Lai-Sheng WangJ. Phys. Chem., 2004, 108, 3509. PDF 7. Hepta- and Octacoordinate Boron in Molecular Wheels of Eight- and Nine-Atom Boron Clusters: Observation and Confirmation.Hua-Jin Zhai, Anastassia N. Alexandrova, Alexander K. Birch, Lai-Sheng Wang, Alexander I. BoldyrevAngew. Chem. Int. Ed., 2003, 42, 6004. PDF 6. Photoelectron Spectroscopy and Ab Initio Study of B3- and B4- Anions and Their Neutrals.Hua-Jin Zhai, Lai-Sheng Wang, Anastassia N. Alexandrova, Alexander I. Boldyrev, V. G. ZakrzewskiJ. Phys. Chem., 2003, 107, 9319. PDF 5. Flattening the B6H62- Octahedron. Ab Initio Prediction of the New Family of Planar All-Boron Aromatic Molecules.Anastassia N. Alexandrova, K. Alexander Birch, Alexander I. BoldyrevJ. Am. Chem. Soc. Communications, 2003, 125, 10786. PDF 4. Hydrogen Trioxide Anion: A Possible Atmospheric Intermediate and Path of Oxygen-Rich Molecules.Ben Elliott, Anastassia N. Alexandrova and Alexander I. BoldyrevJ. Phys. Chem., 2003, 107, 1203. PDF 3. Sigma-Aromaticity and Sigma-Antiaromaticiy in Alkaline Metal and Alkaline Earth Metal Small Clusters.Anastassia N. Alexandrova, Alexander I. BoldyrevJ. Phys. Chem., 2003, 107, 554. PDF 2. Stucture and Bonding in B6- and B6: Planarity and Antiaromaticity.Anastassia N. Alexandrova, Alexander I. Boldyrev, Hua-Jin Zhai, Lai-Sheng Wang, Erich Steiner, Patrick W. FowlerJ. Phys. Chem., 2003, 107, 1359. PDF 1. Electronic Structure and Chemical Bonding of B5- and B5 by Photoelectron Spectroscopy and Ab Iinitio Calculations.Hau-Jin Zhai, Lai-Sheng Wang, Anastassia N. Alexandrova, Alexander I. BoldyrevJ. Chem. Phys., 2002, 117, 7917. PDF |
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18. Artificial enzymes: in silico design and QM/MM characterization.Anastassia N. Alexandrova, William L. Jorgensen, Dadiv Baker.234th National ACS Meeting, Boston, MA, August 2007. 17. QM/MM Evaluation of Kemp Elimination Theo-zymes.Anastassia N. Alexandrova, William L. Jorgensen.Protein Design Processes, Santa Fe, NM, June 13-14, 2007. 16. The Triple Catalytic Power of the Active Site of the CcrA Metallo-β-Lactamase.Anastassia N. Alexandrova.The 11th Online Computational Chemistry Comference, April 2007, accepted. 15. QM/MM Evaluation of Kemp Elimination Theo-zymes.Anastassia N. Alexandrova, William L. Jorgensen.Protein Design Processes, Los Angeles, CA, January 23-24, 2007. 14. Academic Employment Initiative presentaiton.Anastassia N. Alexandrova.232nd ACS National Meeting, San Francisco, CA, September 10-14, 2006. 13. Hydrolysis of β-lactam via ab initio and QM/MM simulations.Anastassia N. Alexandrova, William L. Jorgensen.232nd ACS National Meeting, San Francisco, CA, September 10-14, 2006. 12. QM/MM/MC Simulations of Artificially Designed Aldolases.Anastassia N. Alexandrova, Ivan Tubert-Brohman, Cristiano Guimarães, William L. Jorgensen.Protein Design Processes, Islamorada, FL, April 18-20, 2006. 11. Ab Initio Genetic Algorithm Based Elucidation of Multiply Aromatic Clusters.Anastassia N. Alexandrova, Alexander I. Boldyrev, Hua Jin Zhai, Lai-Sheng Wang.229th ACS National Meeting, San Diego, CA, March 13-17, 2005. 10. Oxygen Rich Species: Areas of Growth and Advancement.Ben Elliott, Alexander I. Boldyrev, Anastassia N. Alexandrova, Hua Jin Zhai, Xin Yang, Xuebin Wang, Lai-Sheng Wang.229th ACS National Meeting, San Diego, CA, March 13-17, 2005. 9. Multiply Aromatic Clusters Via Ab Initio Genetic Algorithm.Anastassia N. Alexandrova, Alexander I. Boldyrev, Hua-Jin Zhai, Lai-Sheng, Wang.Winter School in Theoretical Chemistry 2004, Helsinki, Finland, December, 2004. 8. The Genetic Algorithm Based Elucidation of the Structure of the Multiply-Aromatic Clusters of Main Group Elements.Anastassia N. Alexandrova, Alexander I. Boldyrev.85th Meeting of the AAAS Pacific Devision, Logan, UT, June, 2004. 7. The Genetic Algorithm Based Elucidation of the Structure of the σ-Aromatic and σ-Antitiaromatic Clusters of Main Group Elements.Anastassia N. Alexandrova, Alexander I. Boldyrev.59th Joint Regional Meeting of the Northwest and Rocky Mountain Sections of the American Chemical Society, Logan, UT, June 2004. 6. σ-Aromaticity and σ-Antiaromaticity in Small Clusters of Boron, Lithium and Magnesium.Anastassia N. Alexandrova, Alexander I. Boldyrev, Hau-Jin Zhai, Lai-Sheng Wang.227th ACS Meeting and Exposition, Anaheim, CA, March, 2004. 5. Multiply Aromatic Small Boron Clusters as New Inorganic Ligands.Anastassia N. Alexandrova, Alexander I. Boldyrev, Hau-Jin Zhai, Lai-Sheng Wang20th Symposium on Molecular Structure, Austin, TX, March, 2004. 4. Designing Oxygen-Rich Species: Combining ab initio Calculations and Experimant.Ben Elliott, Anastassia N. Alexandrova, Alexander I. Boldyrev, Hau-Jin Zhai, Xin Yang, Xue-Bin Wang, Lai-Sheng Wang.20th Symposium on Molecular Structure, Austin, TX, March, 2004. 3. Aromaticity and Antiaromaticity in Small Boron Clusters and Related Compounds.Anastassia N. Alexandrova, Alexander I. Boldyrev, Hau-Jin Zhai, Lai-Sheng Wang.225th ACS Meeting and Exposition, New Orleans, LA, USA. March, 2003. 2. Sorbtion of Phenol on Synthetic Fibrous Sorbents.Anastassia N. Alexandrova, Lidia M. Kozlova.B.S./M.S. Diploma Public Defense, June, 2000. 1. Analytical Detection of the Nitrite Ion in Meat Products.Anastassia N. Alexandrova, Rimma K. Chernova.Undergraduate Student Conference, Saratov, Russia, May, 1998. |