Department of Biological Science & Technology, Institute of Bioinformatics, National Chiao Tung University
Tel: +886-3-513-1337, Fax: +886-3-572-9288
E-Mail: jkhwang@cc.nctu.edu.tw
2000-Present Professor, Department of Biological Science & Technology, National Chiao Tung University
2002-2004 Director, Institute of Bioinformatics, National Chiao Tung University
2001-2003 Chairman, Department of Biological Science & Technology, National Chiao Tung University
1999-2000 Director, Institute of Biotechnology, National Tsing Hua University
1997-2000 Professor, Dept Life Sciences, National Tsin Hua University
1982-1988 Ph.D. in Computational Biology, University of Southern Californian. USA
1975-1979 B.S. in Agricultural Chemistry, National Taiwan Univ. Taiwan
Guest Editor of Journal Information Science & Engineering
Reviewers of Bioinformatics, BMC Bioinformatics, Nucleic Acid Research, Journal of American Chemical Society, Journal of Biological Chemistry, Proteins, Mathematical Bioscience, Physica
Structural Bioinformatics
Protein structure prediction and classification
Molecular simulation of enzymatic reactions
Protein folding
QM/MM molecular simulation
Molecular graphics
Hwang JK, Yen GC, Hwang LS, Detection of Vegetable Oil Adulteration by HPLC Analysis of Triglycerides. J. Chin. Agric. Chem. Soc. 91, 20 (1982).
Warshel A, Hwang JK, Quantized Semiclassical Trajectory Approach for Evaluation of Vibronic Transitions in Anharmonic Molecules. J. Chem. Phys.1756, 82 (1985).
Hwang JK, Warshel A, Semiclassical Simulation of the Spectra of Anharmonic Molecules: Problems and Alternatives. Chem. Phys. Lett. 115, 182 (1985).
Hwang JK Warshel A, A Shortcut for Multidimensional Quantization. The Average Partial Action Method. Chem. Phys. Lett. 118, 289 (1985).
Warshel A, Hwang JK, Simulation of the Dynamics of Electron Transfer Reactions in Polar Solvents: Semiclassical Trajectories and Dispersed Polaron Approaches. J. Chem. Phys. 84, 4938 (1986).
Hwang JK, Warshel A,Semiquantitative Calculations of Catalytic Free energies in Genetically Modified Subtilisin. Biochemistry, 26, 2669 (1987).
Hwang JK, Warshel A, Microscopic Examination of Free-Energy Relationships for Electron Transfer in Polar Solvents. J. Am. Chem. Soc. 109, 715 (1987).
Hwang JK, Warshel A, Why Ion Pair Reversal by Protein Engineering is Unlikely to Succeed. Nature, 334, 270 (1988).
Warshel A, Sussman F, Hwang JK, Evaluation of Catalytic Free Energies in Genetically Modified Proteins. J. Mol. Biol. 201, 139 (1988).
Creighton S, Hwang JK, Warshel A, Parson WW, Norris J, Simulating The Dynamics of the Primary Charge Separation Process in Bacterial Photosynthesis. Biochemistry 27 774 (1988).
Hwang JK, Sussman F, Warshel A, Simulating the Energetics and Dynamics of Enzymatic Reactions in Genetically Modified Enzymes in Structure and Expression, edited by Sarma RH and Sarma MH(Adenine Press,New York 1988), p. 95.
Hwang JK, Creighton S, G. King, D. Whitney, and A. Warshel, Effects of Solute-Solvent Coupling and Solvent Saturation on Solvation Dynamics of Charge Transfer Reactions. J. Chem. Phys. 89, 859 (1988).
Hwang JK, King G, Creighton and A. Warshel, Simulation of Free Energy Relationships and Dynamics of SN2 Reactions in Aqueous Solutions. J. Am. Chem. Soc. 110, 5297 (1988).
Warshel A, Naray-Szabo G, Sussman F, Hwang JK, How Do Serine Proteases Really Work? Biochemistry 28, 3629 (1989).
Hwang JK, Chu ZT, Yadav A, Warshel A, Simulations of Quantum Mechanical Corrections for Rate Constants of Hydride-transfer Reactions in Enzymes and Solutions. J. Phys. Chem. 95 8445(1991).
Warshel A, Naray-Szabo G, Sussman F & Hwang JK, Perspectives in Biochemitsry Vol II, edited by Hans Neurath, (American Chemical Society 1991), p. 115.
Warshel A, Chu
ZT, Hwang JK, The Dynamics of the Primary event in rhodopsins revisted.Chem.
Phys. 158, 303 (1991)
Warshel A,
Hwang JK, Åqvist J, Computer Simulations of Enzymatic reactions: Examination of
Linear Free-Energy Relationships and Quantum-mechanical Corrections in the
Initial Proton-Transfer Step of Carbonic Anhydrase. Faraday Discuss. 93,
225-238 (1992).
Hwang JK,
Warshel A, Quantized Classical Path Approach for Calculations of Quantum
Mechanical Rate Constants. J. Phys. Chem. 97, 10053-10058 (1993).
Hwang JK,
Chang CC, Computer Simulation of Enzymatic Reaction Chemistry, 52,
246-250 (1994).
Hwang JK, Liao
WF, Side-chain Prediction by Neural Networks and Simulated Annealing
Optimization. Prot. Eng. 8, 363-370 (1995)
Hwang JK, Pan
JJ, Simulation of Chemical Reactions in Solution by a Combination of Classical
and Quantum Mechanical Approach. Chem. Phys. Lett. 243, 171-175 (1995)
Pan JJ, Hwang
JK, Mixed Quantum Mechanical/Molecular Mechanical Simulations of Chemical
Reactions in Solution and in Enzymes, in Pacific Symposium on Biocomputing '96
edited by Lawrence Hunter and Teri E. Klein. (World Scientific, Singapore, 1996)
p.539-549
Hwang JK, Pan
JJ, Classical Trajectory Mapping Approach for Simulations of Chemical Reactions
in solution and in enzyme. J. Phys. Chem. 100, 909 (1996).
Hwang JK,
Warshel A, How important are quantum mechanical nuclear motions in enzyme
catalysis. J. Am. Chem. Soc. 118, 11745 (1996)
Yang YS, Pan
JJ, Hwang JK, Probing phenol binding environment of sulfotransferase. Protein
Engineering 10A, 70 (1997)
Vyas A, Pan JJ, H. Patel V, Vyas KA, Chiang CM, Sheu YC, Hwang JK, Wu WG, Analysis of binding of cobra cardiotoxins to heparin reveals a new beta-sheet heparin-binding structural motif. J. Biol. Chem. 272, 9661(1997)
Hwang JK,
Warshel A, On the relationship between the dispersed polaron and spin-boson
models. Chem. Phys. Lett. 271, 223 (1997).
Chan FCH, Pan
JJ, Fan ZZ, Hsieh FMJ, Hwang JK, Computer simulation of chemical reactions in
biological systems, Chemistry, 55, 1 (1997)
Hwang JK,
Calculation of quantum mechanical free energy at low temperature. Theo. Chem.
Acc. 98, 202 (1998)
Hwang JK, The
partial averaging Fourier path integral approach based on the harmonic reference
path, Theo. Chem. Acc. 101 (1999) 5, 359-363
Lin CH, Chan FCH, Hwang JK, Lyu PC, Calcium binding mode of g-carboxyglutamic acids in Conantokins, Protein Engineering (1999) 12, 101-107
Fan ZZ, Hwang JK, Warshel A, Using simplified protein representaion as a reference potential for all-atom calculations of folding free energy Theo. Chem. Acc. (1999) 103, 77-80
Lyu PC, Hwang
JK, The Prospect and development of Bioinformatics Chem. Enginnering 48,
(2001) 97-102.
Chan CC, Hwang JK, From 1D sequence to 3D structure – structure entropy of peptide fragments. Comm. IICM (2001), 4, 127-133.
Horng JT, Huang HD, Wang SH, Chen MY, and Hwang JK, Computing motif correlations in proteins. J. Comp. Chem. (2003), 24, 2032-2043.
Chan CH, Lyu PC, Hwang JK, Computation of the Protein Structure Entropy and Its Applications to Protein Folding Processes J. Chin. Chem. Soc. (2003), 50, 677-684
Chuang A, Chen CY, Yang JM, Lyu PC, Hwang JK, Relationship between protein structures and disulfide-binding patterns. Proteins: Structure, Function and Genetics (2003) 52, 1-5.
Yu CS, Wang JY, Yang JM, Lyu PC, Lin CJ, Hwang JK, Fine-grained protein fold assignment by support vector machines using generalized n-peptide coding schemes and jury voting from multiple parameter sets. Proteins: Structure, Function, Genetics (2003) 50,531-536.
Yu JSK, Hwang JK, Tang CY, Yu CH. Numerical performance and throughput benchmark for electronic structure calculations in PC-Linux System with new architectures, updated compilers and library. J. Chem. Inf. Comput. Sci (2004), 44, 635-642.
Chan CH, Liang HK, Hsiao NW, Ko MT, Lyu PC, Hwang JK. The relationship between local structural entropy and protein thermostability. Proteins: Structure, Function and Bioinformatics (2004), 57, 684-691.
Huang SW, Hwang JK. Computation of conformational entropy from protein sequences using the machine-learning method :Application to the study of the relationship between structural conservation and local structural stability. Proteins: Structure, Function and Bioinformatics (2005), 59, 802-809.
Liang HK, Huang CM, Ko MT, Hwang JK. The Amino Acid-Coupling Patterns in Thermophilic Proteins. Proteins: Structure, Function and Bioinformatics (2005), 59, 58-63.
Lin YS, Tzeng CS, Hwang JK. Reassessment of morphological characters in freshwater eels (genus Anguilla, Anguillidae) shows congruence with molecular phylogeny estimate. Zoologica Scripta (2005), 34, 225-234.
Chen YC, Hwang JK Prediction of disulfide connectivity from protein sequences. Proteins: Structure, Function and Bioinformatics (2005) In press.