Professor Hsiao-Ching Yang

Lab website https://yikanglan.wixsite.com/yangslab

 

Phone

(O)(8862)2905-2534.

(Lab) (8862)2905-2536

(Fax) (8862)29023209

E-mail

yanghc@gmail.com

hcyang_chem@mail.fju.edu.tw

Experiences

Education/Degrees:

B.S. in Chemistry, 1999, National Sun Yat-Sen University, Taiwan,

PhD in Physical Chemistry, 2004, National Sun Yat-Sen University, Taiwan.

 

Professional Employment:

2020/08 – now: Dean of Research and Development

2019/02 – now: Professor, Department of Chemistry, Fu Jen Catholic University

2018/08 – 2020/07: Director, Center of Research Management

2012/02 – 2019/01: Associate Professor, Department of Chemistry, Fu Jen Catholic University

2006/08 – 2011/02: Assistant Professor, Department of Chemistry, Fu Jen Catholic University

2006/01  –2006/08: Postdoctoral Research Associate, The Ohio State University

2004/08  – 2005/12: Postdoctoral Research Associate, National Taiwan University

 

Honors and Awards

 

2016.  Ministry of Science and Technology, Ta-You Wu Memorial Award, Taiwan

2015  Fu Jen Catholic University, Outstanding Research Award, Taiwan

2013  the 62nd SPSJ “Asia Excellence Award”, Japan

2012  NSC Research Award, Taiwan

2011  Science Editors Choice, 2011, 333, 500. C&EN Concentrates, 2011, 89 (30).

2011  Fu Jen Catholic University Outstanding Research Award, Taiwan

2011  Chinese Chemical Society Honorable Mention Poster Award, Taiwan

2011  Polymer Society Annual Meeting Best Poster Award, Taiwan

2011  Polymer Society Annual Meeting Honorable Mention Poster Paper Award, Taiwan

2010  Polymer Society Annual Meeting Best Poster Award, Taiwan

2008  the 42nd World Polymer Congress (Macro 2008) International Young Polymer

Scientist   Invited Speaker, Taipei

 

Field

Main fields: PHYSICAL CHEMISTRY, Computational Chemical Dynamics of Complexed Systems

Other fields: Mapping of enzymatic process and kinetics by fluorescence lifetime methods and X-ray/neutron scattering imaging.

Current research interests:  Development and application of advanced computational chemical dynamics methods for X-ray/neutron scattering data analysis of biomolecules in solution.

 

Research Interests

Enzymes are dynamical systems that perform homeostatic abilities, in precise control of their local environment through inter-conversions of chemical and mechanical energy and self-regulating feedback connections organized hierarchically across many scales of states. However, little is currently known about the fundamental molecular mechanisms by which enzymes sense mechanical force or deformation, and transducer the mechanical signal into a chemical/biological response. Dr. Yang’s research is directed primarily toward developing and applying modern computational, theoretical capabilities and designed experiments for the understanding and prediction of chemical and physical processes ranging from the molecular to the nanoscale to comprehensive applications, elucidating the mechanistic and stereochemical course of electrocyclic organic reactions, characterizing processes and the nature of inter- and intramolecular interactions governing complex structure, molecular recognition, etc. by which are degraded in physical chemistry and biophysics.  The inspiration that X-rays could reveal the crystallographic structures inevitably gave way to the perspiration required to solve more and more complicated biological macromolecules in solutions. X-ray/Neutron scattering has been applied more recently to the study of biomolecules, starting from the late 1980s, but the method, particularly in difficulty of data analysis, is now established as an indispensable tool for their application of structures can be mapped. Dr. Yang has focuses on the SAXS data analysis by incorporating innovated methodologies of computational chemical dynamics that allow one to meaningfully interpret the scattering data from monodisperse systems, from transient complexes as well as flexible and heterogeneous systems in terms of structural models. Yang’s group current interest has focused on the hybrid approaches utilizing SAXS with high-resolution molecular dynamics simulation techniques, but also with biochemical, biophysical, and numerical programming methods by a series of breakthrough experiments with the synchrotron/neutron beamline (TLS 23A at NSRRC/ QUOKKA at ANSTO) and developed computational techniques for solving the inverse mapping problems of X-ray/neutron scattering. Dr. Hsiao-Ching Yang’s research makes efforts to open the field to a new avenue with explosive positive development of value for pure science and practical applications.

Structure-Dynamics-Function in Enzyme Mechanochemical Regulations and Computer-Aided Drug Discovery

1.“Temperature Effect on Water Dynamics in Tetramer Phosphofructokinase Matrix and the Super-Arrhenius Respiration Rate”, Scientific Reports 2020, accepted.

2.“Could Chemical Reaction at the Molecular Level Show Distinction between Two Liquid-Water States? Study of the Excited-State Water-Catalyzed Proton Transfer Reaction Provides a Clue”, J. Phys. Chem. Lett. 2020, 11, 9468-9475.

3.“Substrate Channeling of Prostaglandin H2 on the Stereochemical Control of a Cascade Cyclization Route”, ACS catalysis 2018, 8, 2534-2545.

4.“Probing Interaction between Prostacyclin Synthase and Prostaglandin H2 Analogues or Inhibitors via Combination of Resonance Raman Spectroscopy and Molecular Dynamics Simulation Approaches” , J. Am. Chem. Soc. 2011, 133 (46), 18870–18879.

 

Integrating Innovated Methodologies of Computational Chemical Dynamics and Biomacromolecular Small Sngle Scattering (BioSAS) and Imaging

1. “Probing Interactions between Metal–Organic Frameworks and Freestanding Enzymes in a Hollow Structure.”, Nano Lett. 2020, 209, 6630–6635.

2.“Molecular Dynamics Simulation Combined with small-angle X-ray/Neutron Scattering Defining Solution State Protein Structures”, Journal of the Chinese Chemical Society 2020, accepted.

3.“Homology Modeling and Molecular Dynamics Simulation Combined with X-ray Solution Scattering Defining Protein Structures of Thromboxane and Prostacyclin Synthases”, 

J. Phys. Chem. B 2017, 121, 11229-11240.

 

Probing Water Coupled Protein Dynamics and Water Micro-solvation in Metalloenzyme (Porphyrin) Catalysis

1. “Probing Interactions between Metal–Organic Frameworks and Freestanding Enzymes in a Hollow Structure.”, Nano Lett. 2020, 209, 6630–6635.

2.“Probing Micro-solvation in Proteins by Water Catalyzed Proton Transfer Tautomerism” Nature Communication, 2013, 4, 2611

3.“Probing Ligand Binding to Thromboxane Synthase” Biochemistry 2013, 52, 1113

4.“Probing Interaction between Prostacyclin Synthase and Prostaglandin H2 Analogues or Inhibitors via Combination of Resonance Raman Spectroscopy and Molecular Dynamics Simulation Approaches” J. Am. Chem. Soc. 2011, 133 (46), 18870–18879.

 

Computational Chemical Dynamics of MetalloCarbene Olefin Metathesis

1.“Carbene Rotamer Switching Explains the Reverse Trans Effect in Forming the Grubbs

Second-Generation Olefin Metathesis Catalyst” Organometallics, 2011, 30, 4196.

(This work was also reported by Science Editors’ Choice highlight [Science, 2011, 333, 500] and [C & E News, 2011, 89, 39] ).

 

 

 

 

代表著作

Google Scholar:

https://scholar.google.co.uk/citations?hl=en&user=zjk-oKcAAAAJ&view_op=list_works&sortby=pubdate

 

2011-present

1.     “Temperature Effect on Water Dynamics in Tetramer Phosphofructokinase Matrix and the Super-Arrhenius Respiration Rate” Hsiao-Ching Yang*, Yung-Chi Ge, Kuan-Hsuan Su, Chia-Cheng Chang, King-Chuen Lin, Vincenzo Aquilanti, and Toshio Kasai*, Scientific Reports, 2021, 11(1), 1-14. IF: 3.998, Multidisciplinary Sciences, Q1, rank: 17/71. (link)

2.     “Molecular Dynamics Simulation Combined with small-angle X-ray/Neutron Scattering Defining Solution State Protein Structures.”Shang-Wei Lin, Kuan-Hsuan Su, Yi-Qi Yeh, U-Ser Jeng, Chun-Ming Wu, Hsiao-Ching, Yang*.  Journal of the Chinese Chemical Society, 2020, Special Issue Dedicated to Prof. Chung‐Yuan Mou. accepted. IF:1.554, Chemistry, Multidisciplinary, Q3, rank: 120/177. (link)

3.     “Probing Interactions between Metal–Organic Frameworks and Freestanding Enzymes in a Hollow Structure.” Sheng-Yu Chen, Wei-Shang Lo, Yi-Da Huang, Xiaomeng Si, Fu-Siang Liao, Shang-Wei Lin, Benjamin P. Williams, Ting-Qian Sun, Hao-Wei Lin, Yuanyuan An, Tu Sun, Yanhang Ma, Hsiao-Ching Yang*, Lien-Yang Chou*, Fa-Kuen Shieh*, and Chia-Kuang Tsung*, Nano Lett., 2020, 20(9), 6630–6635. IF: 11.238, Physics Applied, Q1, rank: 11/155, top 7%. (link)

4.     “Could Chemical Reaction at the Molecular Level Show Distinction between Two Liquid-Water States? Study of the Excited-State Water-Catalyzed Proton Transfer Reaction Provides a Clue” Yu-Hsuan Cheng, Hsiao-Ching Yang*, and Pi-Tai Chou*, J. Phys. Chem. Lett., 2020, 11(21), 9468-9475. IF: 6.710, Chemistry Physical, Q1, rank: 3/37, top 8%. (link)

5.     “[1-(4-chloro-3-nitrobenzenesulfonyl)-1H-indol-3-yl]-methanol, an indole-3-carbinol derivative, inhibits glutamate release in rat cerebrocortical nerve terminals by suppressing the P/Q-type Ca2+ channels and Ca2+/calmodulin/protein kinase A pathway.” Cheng-Wei Lu, Tzu-Yu Lin, Hsiao-Ching Yang, Chi-Feng Hung, Jing-Ru Weng, Der-Chen Chang, Su-Jane Wang*. Neurochemistry International, 2020, 140: 104845. IF: 3.811, Neuro Science, Q2, rank: 95/272. (link)

6.      “Substrate Channeling of Prostaglandin H2 on the Stereochemical Control of a Cascade Cyclization Route” Hsiao-Ching Yang*, Yung-Chi Ge, Cheng-Han Yang , and Wei-Chih Chao, ACS catalysis 2018, 8, 2534-2545. IF: 12.350, Chemistry Physical, Q1, rank: 12/159, top 7%. (link)

7.     “Unveiling the water-associated conformational mobility in the active site of ascorbate peroxidase”Wei-Chih Chao, Li-Ju Lin, Jyh-Feng Lu*, Jinn-Shyan Wang*, Tzu-Chieh Lin, Yi-Han Chen, Yi-Ting Chen, Hsiao-Ching Yang, Pi-Tai Chou.BBA-General Subjects 2018, 1862 (3), 451-459. IF:3.422, Biophysics, Q2, rank: 19/71. (link)

8.      “Homology Modeling and Molecular Dynamics Simulation Combined with X-ray Solution Scattering Defining Protein Structures of Thromboxane and Prostacyclin Synthases” Hsiao-Ching Yang*, Cheng-Han Yang, Ming Yi Huang, Jyh-Feng Lu, Jinn-Shyan Wang, Yi-Qi Yeh, U-Ser Jeng, J. Phys. Chem. B 2017, 121(50), 11229-11240. IF: 3.051, Chemistry Physical, Q2, rank: 76/159. (link)

9.     “The In Situ Tryptophan Analogue Probes the Conformational Dynamics in Asparaginase Isozymes” Wei-Chih Chao, Jiun-Yi Shen, Cheng-Han Yang, Yi-Kang Lan, Jui-Hung Yuan, Li-Ju Lin, Hsiao-Ching Yang*, Jyh-Feng Lu, Jinn-Shyan Wang, Kevin Wee, You-Hua Chen, Pi-Tai*, Biophysical Journal 2016, 110(8), 1732–1743. IF: 3.854, Biophysics, Q1, rank: 15/71. (link)

10.  “Probing the polarity and water environment at the protein-peptide binding interface using tryptophan analogues”Yi-Ting Chen, Wei-Chih Chao, Hsiou-Ting Kuo, Jiun-Yi Shen, I-Han Chen, Hsiao-Ching Yang, Jinn-Shyan Wang, Jyh-Feng Lu, Richar d P Cheng*, Pi-Tai Chou*.Biophysics Reports 2016, 7, 113-118. IF: 4.105, Cell Biology, Q2, rank: 77/195. (link)

11.   “Probing Water Environment of Trp59 in Ribonuclease T1: Insight of the Structure−Water Network Relationship” Wei-Chih Chao, Jiun-Yi Shen, Jyh-Feng Lu,*,Jinn-Shyan Wang,*, Hsiao-Ching Yang,*, Kevin Wee, Li-Ju Lin, Yi-Ching Kuo, Cheng-Han Yang, Shih-Hui Weng, Huai-Ching Huang, You-Hua Chen, and Pi-Tai Chou*,  J. Phys. Chem. B ,2015, 119(6), 2157.
IF: 3.051, Chemistry Physical, Q2, rank: 76/159. (link)

12.  “Probing Water Micro-solvation in Proteins by Water Catalyzed Proton-Transfer Tautomerism.” Jiun-Yi Shen, Wei-Chih Chao, Chun Liu, Hsiao-An Pan, Hsiao-Ching Yang*, Chi-Lin Chen, Yi-Kang Lan, Li-Ju Lin, Jinn-Shyan Wang, Jyh-Feng Lu, Steven Chun-Wei Chou, Kuo-Chun Tang and Pi-Tai Chou* Nature Communication 2013, 4, 2611. IF:12.121, Multidisciplinary Sciences, Q1, rank: 6/71, top 8%. (link)

13.  “On the Stereoselectivity of Ring-Opening Metathesis Polymerization (ROMP) of N-Arylpyrrolidine-Fused Cyclobutenes with Molybdenum– and Ruthenium–Alkylidene Catalyst” Nai-Ti, Lin, Yuan-Zhen, Ke, Kamani Satyanarayana, Shou-Ling Huang, Yi-Kang Lan, Hsiao-Ching Yang, and Tien-Yau Luh* Macromolecules 2013, 46, 18, 7173–7179. IF:5.918, polymer science, Q1, rank:7/89. (link)

14.  “Probing Ligand Binding to Thromboxane Synthase” Wei-Chih Chao, Jyh-Feng Lu, Jinn-Shyan Wang,* Hsiao-Ching Yang, Tai-An Pan, Steven Chun-Wei Chou, Lee-Ho Wang, and Pi-Tai Chou Biochemistry 2013, 52(6), 1113. IF:2.865, Biochemistry & Molecular Biology, Q3, rank: 169/297. (link)

15.  “Vitamin E Facilitates the Inactivation of the Kinase Akt by the Phosphatase PHLPP1”Po-Hsien Huang, Hsiao-Ching Chung, Chih-Chien Chou, Huiling Wang, Su-Lin Lee, Hsiao-Ching Yang, Hao-Chieh Chiu, Naval Kapuriya,Dasheng Wang, Samuel K. Kulp, and Ching-Shih Chen,* Science Signaling (AAAS) 2013, 6 (267), ra19. IF:6.378, Biochemistry & Molecular Biology, Q1, rank: 39/297. (link)

16.  “Ambipolar carrier transport properties in a built-indonor–acceptor discogen” Li-Yin Chen, Fei-Hsiung Chien*, Yen-Wei Liu, Wenjun Zheng, Cheng-Yan Chiang, Chia-Yi Hwang, Chi-Wi Ong, Yi-Kang Lan, Hsiao Ching Yang, Organic Electronics 2013, 14 (8), 2065-2070. IF:3.310, Physics Applied, Q2, rank: 41/155. (link)

17.  “Identification of Kazinol Q, a Natural Productfrom Formosan Plants, as an Inhibitor of DNAMethyltransferase” Jing-Ru Weng*, I-Lu Lai, Hsiao-Ching Yang, Chun-Nan Lin, and Li-Yuan Bai PHYTOTHERAPY RESEARCH Phytother. Res. 2013, 28 (1), 49-54. IF:4.087, Chemistry Medicinal, Q1, rank: 15/61. (link)

18.  “Sp1 phosphorylation by cyclin-dependent kinase 1/cyclin B1 represses its DNA-binding activity during mitosis in cancer cells”Jian-Ying Chuang, Susan A Wang, Wu-Bin Yang, Hsiao-Ching Yang, Chiung-Yu Hung, Tsung-Ping Su, Wen-Cheng Chang, Jan-Jong Hung*.Oncogene 2012, 31, 4946-4959. IF:7.971, Genetics & Heredity, Q1, rank: 14/178, top:7%. (link)

19.  “Probing the Interaction between Prostacyclin Synthase and Prostaglandin H2 Analogues or Inhibitors via Combination of Resonance Raman Spectroscopy and Molecular Dynamics Simulation Approaches” Wei-Chih Chao, Jyh-Feng Lu, Jinn-Shyan Wang, Hsiao-Ching Yang,* Hsiao-Hui Chen, Yi-Kang Lan, Ya-Chien Yu, Pi-Tai Chou*, and Lee-Ho Wang J. Am. Chem. Soc. 2011, 133 (46), 18870–18879. IF:14.612, Chemistry, Multidisciplinary, Q1, rank: 13/177, top:7%. (link)

20.  “Targeting Energy Metabolic and Oncogenic Signaling Pathways in Triple-negative Breast Cancer by a Novel Adenosine Monophosphate-activated Protein Kinase (AMPK) Activator” Kuen-Haur Lee, En-Chi Hsu, Jih-Hwa Guh, Hsiao-Ching Yang, Dasheng Wang, Samuel K. Kulp, Charles L. Shapiro and Ching-Shih Chen,* Journal of Biological Chemistry 2011, 286 (45), 39247-39258. IF:4.106, Biochemistry & Molecular Biology, Q2, rank: 87/297. (link)

21.   “Carbene Rotamer Switching Explains the Reverse Trans Effect in Forming the Grubbs Second-Generation Olefin Metathesis Catalyst” Hsiao-Ching Yang,* Yen-Chin Huang, Yikang Lan, Tien-Yau Luh, Yan Zhao and Donald G. Truhlar* Organometallics 2011, 30 (15), 4196–4200. IF:3.804, Chemistry, Inorganic & Nuclear, Q1, rank: 6/45, top 13%.(link) Science Editors’Choice highlight [Science, 2011, 333, 500].

22.  “Chiral amplification in one-dimensional helical nanostructures self-organized from phenylethynyl thiophene with elaborated long-chain dicarboxamides.” Chun-Hsian Li, Kai-Chi Chang, Chia-Chen Tsou, Yikang Lan, Hsiao-Ching Yang*, and Shih-Sheng Sun* J. Org. Chem. 2011, 76, 14, 5524–5530 IF:4.335, CHEMISTRY, ORGANIC, Q1, rank: 9/57. (link)

23.  "Enforced liquid crystalline properties of dibenzo [a, c] phenazine dimer and self assembly" Mei-Chun Tzeng,a Su-Chih Liao, Tsu-Hsin Chang, Shih-Chi Yang, Min-Wei Weng, Hsiao-Ching Yang, Michael Y. Chiang, Zhang Kai, Jishan Wuc and Chi Wi Ong* Journal of Materials Chemistry 2011, 21 (6), 1704-1712. IF:6.626 (link)

Before 2010

1.     “Theoretical Investigations of Electronic Structure and Charge-Transport Properties in the Polythiophene-Based Organic Field‐Effect Transistors.”Yi-Kang Lan, Cheng Han Yang, and Hsiao-Ching Yang*.Polymer International 2010, 59 (1), 16-21.(link)

2.     “A new Cd4-2,4-pyridinedicarboxylate layered coordination polymer consisting of intralayer cavities and reversible network self-adaptation upon dehydration/moisture-absorption.”Yen-Hsiang Liu*, Hsiao-Ping Fang, Pei-Ci Jhang, Chia-Chien Peng, Po-Hsiu Chien, Hsiao-Ching Yang, Yun-Chieh Huang, and Yu-Lin Lo. CrystEngComm 2010, 12 (6), 1779-1783.(link)

3.     “A new Cd4-2,4-pyridinedicarboxylate layered coordination polymer consisting of intralayer cavities and reversible network self-adaptation upon dehydration/moisture-absorption.”Yen-Hsiang Liu*, Hsiao-Ping Fang, Pei-Ci Jhang, Chia-Chien Peng, Po-Hsiu Chien, Hsiao-Ching Yang, Yun-Chieh Huang, and Yu-Lin Lo, CrystEngComm, 2010, 12, 1779. (link)

4.     “Theoretical Investigations of Electronic Structure and Charge-Transport Properties in the Polythiophene Based OFETs” Yi-Kang Lan, Cheng Han Yang, and Hsiao-Ching Yang* Polymer International 2010, 59, 16. (link)

5.     “Oligomeric Tectonics: Supramolecular Assembly of Double Stranded Oligobisnorbornene via π-π Stacking” Shern-Long Lee, Nai-Ti Lin, Wei-Chih Liao, Chun-hsien Chen,* Hsiao-Ching Yang,* and Tien-Yau Luh* Chem. Eur. J. 2009, 15, 11594. (link)

6.     “Thiazolidinediones Mimic Glucose Starvation in Facilitating Sp1 Degradation Through the Upregulation of β-TRCP” Shuo Wei, Hsiao-Ching Chuang, Wan-Chi Tsai, Hsiao-Ching Yang, Shiuh-Rong Ho, Andrew J. Paterson, Samuel K. Kulp, and Ching-Shih Chen* Molecular Pharmacology 2009, 76, 47. (link)

7.     “A Novel Mechanism by Which Thiazolidinediones Facilitate the Proteasomal Degradation of Cyclin D1 in Cancer Cells” Shuo Wei, Hsiao-Ching Yang, Hsiao-Ching Chuang, Jian Yang, Samuel K. Kulp, Pei-Jung Lu, Ming-Derg Lai, and Ching-Shih Chen* Journal of Biological Chemistry 2008, 283, 26759. (link)

8.     “One-Handed Helical Double Stranded Polybisnorbornenes” Hui-Chun Yang, Sherng-Long Lee, Chun-hsien Chen*, Nai-Ti Lin, Hsiao-Ching Yang, Bih-Yaw Jina and Tien-Yau Luh* Chem. Commun. 2008, 46, 6158. (link)

9.     “On the Tacticity of Polynorbornenes with 5,6-endo Pendant Groups That Contain SubstitutedAryl Chromophores” Wei-Yu Lin, Hsian-Wen Wang, Zhi-Chang Liu, Jun Xu, Chih-Wei Chen, Yun-Chin Yang, Shou-Ling Huang, Hsiao-Ching Yang, and Tien-Yau Luh* Chemistry - An Asian Journal 2007, 2, 764–774. (link)

10.  “A Potent Indole-3-Carbinol–Derived Antitumor Agent with Pleiotropic Effects on Multiple Signaling Pathways in Prostate Cancer Cells” Jing-Ru Weng, Chen-Hsun Tsai, Samuel K. Kulp, Dasheng Wang, Chia-Hui Lin, Hsiao-Ching Yang, Yihui Ma, Aaron Sargeant, Chang-Fang Chiu, Ming-Hsui Tsai, and Ching-Shih Chen* Cancer Research 2007 67, 7815-7824. (link)

11.  “Histone Deacetylase Inhibitors Sensitize Prostate Cancer Cells to Agents That Produce DNA Double-Strand Breaks by Targeting Ku70 Acetylation” Chang-Shi Chen, Yu-Chieh Wang, Hsiao-Ching Yang, Po-Hsien Huang, Samuel K. Kulp, Chih-Cheng Yang, Yen-Shen Lu, Shigemi Matsuyama, Ching-Yu Chen, and Ching-Shih Chen* Cancer Research 2007, 67, 5318-5327. (link)

12.  “Molecular Architecture towards Helical Double Stranded Polymers” Hui-Chun Yang, Shu-Yi Lin, Hsiao-Ching Yang, Cheng-Lan Lin, Lun Tsai, Shou-Ling Huang, I. Wen-Peter Chen, Chun-hsien Chen*, Bih-Yaw Jin, and Tien-Yau Luh*  Angew. Chem. Int. Ed. 2006 118(5), 740-744. (link)

13.  “On the Rigidity of Polynorbornenes with Dipolar Pendant Groups” Wei-Yu Lin, Modachur G. Murugesh, Sundarraj Sudhakar, Hsiao-Ching Yang, Hwan-Ching Tai, Chia-Seng Chang, Yi-Hung Liu, Yu Wang, I-Wen Peter Chen, Chun-hsien Chen, and Tien-Yau Luh*, Chem. Eur. J. 2005, 12, 324. (link)

14.  “Density Functional Theory Calculations of Dense TiO2 Polymorphs:  Implication for Visible-Light-Responsive Photocatalysts” Ming-Yu Kuo, Cheng-Lung Chen*, Chih-Yu Hua, Hsiao-Ching Yang, and Pouyan Shen* J. Phys. Chem. B 2005, 109, 8693. (link)

15.  “First-principles calculation of prevailing faces of α-PbO2-type TiO2” Ming-Yu Kuo, Cheng-lung Chen*, Hsiao-Ching Yang, Chih-Yu Hua, and Pouyan Shen*  PHYSICAL REVIEW B 2005, 71, 125405. (link)

16.  “A computer simulation study of water drying at the interface of protein chains” Qiang Huang, Shangwu Ding, Chih-Yu Hua, Hsiao-Ching Yang, and Cheng-Lung Chen* J. Chem. Phys. 2004, 121, 1969. (link)

17.  “Computer simulation of ionic and nonionic mixed surfactants in aqueous solution” Ming-Yu Kuo, Hsiao-Ching Yang, Chih-Yu Hua, Cheng-Lung Chen* ChemPhysChem 2004, 5, 575. (link)

18.  “Computer Simulation of Long Side-Chain Substituted Poly(phenylene vinylene) Polymers” Hsiao-Ching Yang, Chih-Yu Hu, Ming-Yu Ku, Qiang Huang, and Cheng-Lung Chen* ChemPhysChem 2004, 5, 373. (link)

19.  “A molecular dynamics simulation study on ion-conducting polymer sPBI-PS (Li+)” Hsiao-Ching Yang, Qiang Huang, Chih-Yu Hua,Yi-Kang Lan and Cheng-Lung Chen* J. Chin. Chem. Soc. 2003, 50(3B), 472. (link)

多尺度化學計算相關資訊可參見2013年12月第528期-2013諾貝爾獎特別報導：化學家的駭客任務—虛擬實境的化學實驗與研究創新http://scimonth.blogspot.tw/2013/12/blog-post_5649.html