■ 학 력

1984-1988 Seoul National University, B.S. in Chemistry

1988-1990 Seoul National University, M.S. in Chemistry

1991-1996 University of Wisconsin-Madison, Ph.D. in Chemistry

■ 경 력

1997-1998 University of Utah, 화학과 연구원

1998-1999 Georgetown University Medical center, 연구원

1999-2000 University of Minnesota, 화학과 연구원

2000-현재 부산대학교 화학과 교수

■ Research Interests

- 금속을 포함하는 효소 모델 시스템의 양자계산과 반응속도 예측

- 단백질 분자의 folding, 리간드와의 docking 예측을 위한 이론적 방법의 개발과 적용

- 분자동력학을 통한 액체상태에서의 반응연구

- 작은 분자의 고분해 분광학적 상수들의 정확한 ab-initio 예측과 해석

- Semi-classcial 분자동력학의 개발과 적용

■ Selected Publications

1. Molecular Dynamics Study of Peptides in Implicit water: Ab initio Folding of beta-Hairpin, beta-sheet, and beta-beta-alpha-motif, S. Jang, S. Shin, and Y, Pak, Journal of American Chemical Society 124, 4976(2002)

2. Ab initio Folding of Helix Bundle Proteins Using Molecular Dynamics SImulations, S. Jang, E. Kim, S. Shin, and Y. Pak, Journal of American Chemical Society 125, 14841(2003)

3. Replica Exchange Method Using the Generalized Effective Potential, S. Jang, S. Shin, and Y. Pak, Physical Review Letters 91, 05835(2003)

4. Free energy surface of miniproteins with a beta-beta-motif: Replica exchange molecular dynamics simulation with an implicit solvation model, S. Jang, E. Kim, and Y. Pak, Proteins: Structure, Function, and Bioinformatics 62, 663(2006)

5. Consistent Free energy Landscapes and thermodynamic properties of small proteins based on a single all-atom force field employing implicit solvation, E. Kim, S. Jang, and Y. Pak, Journal of Chemical Physics 127, 145104 (2007)

6. All-atom level direct folding simulation of a beta-beta-alpha miniprotein, S. Jang, E. KIm, and Y. Pak, Journal of Chemical Physics 128, 105102(2008)

7. All-atom ab nitio native structure prediction of a mixed fold (1FME): A comparison of structural and folding characteristics of various beta-beta-alpha proteins, E. Kim, S. Jang, and Y. Pak, Journal of Chemical Physics 131, 195102(2009)

8. Free energy Landscape of the FBP28 WW Domain by All-atom Direct Folding Simulation, E. Kim, S. Jang, M. Lim, and Y. Pak, Journal of Physical Chemistry B 114, 7686(2010)

9. Large Tunneling Effect on the hydrogen Transfer in Bis(mu-oxo)dicoppe Enzyme: A Theoretical Study, K. Kim, Y. Pak, and Y. Kim, Journal of American Chemical Society 134, 3524 (2012)

10. Antigen Shedding May Improve Efficiencies for Delivery of Antibody-Based Anticancer Agents in Solid Tumor

Y. Pak, Y. Zhang, I. Pastan, and BK Lee, Cancer Research 72, 3143(2012)

11. Free energy landscape of a thrombin-binding DNA aptamer in aqueous environment, E. Kim, C. Yang, and Y. Pak, Journal of Chemical Theory and Computation 8, 4845(2012)

12. Effect of Antigen shedding on targeted delivery of immunotoxins in solid tumors from a mathematical model

Y. Pak, I. Pastan, R. J. Kreitman, B.K. Lee, PLOS ONE 9(10): e110716(2014)

13. A fully atomistic computer simulation study of cold denaturation of a beta-hairpin, C. Yang, S. Jang, and Y. Pak

Nature Communications 5:5773 doi: 10.1038/ncomms6773 (2014)

14. Free energy landscape and transition pathways from Watson-Crick to Hoogsteen base pairing in free duplex DNA, C. Yang, E. Kim, and Y. Pak, Nucleic Acids Research ;doi: 10.1093/nar/gkv796(2015)

15. Predicting RNA structures via a simple van der Waals correction to an all-atom force field, C. Yang, M. Lim, E. Kim, and Y. Pak, Journal of Chemical Theory and Computation 13, 395-399(2017)

16. In silico direct folding of thrombin-binding aptamer G-quadruplex at all-atom level, Changwon Yang, Mandar Kulkarni, Manho Lim, and Youngshang Pak, Nucleic Acids Research xxx(2017)