Jenn-Huei Lii

Publication Activity (10 Years)

Years Active: 1996-2023
Publications (10 Years): 3

Top Topics

Protein Protein Interactions

Secondary Structure

Computational Methods

Top Venues

J. Comput. Aided Mol. Des.

J. Comput. Chem.

Publications

Ioannis Stylianakis, Nikolaos Zervos, Jenn-Huei Lii, Dimitrios A. Pantazis, Antonios Kolocouris
Correction to: Conformational energies of reference organic molecules: benchmarking of common efficient computational methods against coupled cluster theory. J. Comput. Aided Mol. Des. 37 (12) (2023)
Ioannis Stylianakis, Nikolaos Zervos, Jenn-Huei Lii, Dimitrios A. Pantazis, Antonios Kolocouris
Conformational energies of reference organic molecules: benchmarking of common efficient computational methods against coupled cluster theory. J. Comput. Aided Mol. Des. 37 (12) (2023)
Jenn-Huei Lii, Norman L. Allinger, Ching-Han Hu, Henry F. Schaefer III
Structure 13-13 D2. J. Comput. Chem. 37 (1) (2016)
Jenn-Huei Lii, Ching-Han Hu
An improved theoretical approach to the empirical corrections of density functional theory. J. Comput. Aided Mol. Des. 26 (2) (2012)
Jenn-Huei Lii, Fu-Xing Liao, Ching-Han Hu
Accurate prediction of the enthalpies of formation for xanthophylls. J. Comput. Chem. 32 (15) (2011)
Francesco Strino, Jenn-Huei Lii, Chaitanya A. K. Koppisetty, Per-Georg Nyholm, Hans-Joachim Gabius
Selenoglycosides in silico: ab initio-derived reparameterization of MM4, conformational analysis using histo-blood group ABH antigens and lectin docking as indication for potential of bioactivity. J. Comput. Aided Mol. Des. 24 (12) (2010)
Francesco Strino, Jenn-Huei Lii, Hans-Joachim Gabius, Per-Georg Nyholm
Conformational analysis of thioglycoside derivatives of histo-blood group ABH antigens using an ab initio-derived reparameterization of MM4: implications for design of non-hydrolysable mimetics. J. Comput. Aided Mol. Des. 23 (12) (2009)
Kuo-Hsiang Chen, Jenn-Huei Lii, Yi Fan, Norman L. Allinger
Molecular mechanics (MM4) study of amines. J. Comput. Chem. 28 (15) (2007)
Jenn-Huei Lii, Kuo-Hsiang Chen, Norman L. Allinger
Alcohols, ethers, carbohydrates, and related compounds. IV. carbohydrates. J. Comput. Chem. 24 (12) (2003)
Jenn-Huei Lii, Kuo-Hsiang Chen, Kathleen A. Durkin, Norman L. Allinger
Alcohols, ethers, carbohydrates, and related compounds. II. The anomeric effect. J. Comput. Chem. 24 (12) (2003)
Charles H. Langley, Jenn-Huei Lii, Norman L. Allinger
Molecular mechanics (MM4) calculations on carbonyl compounds. I-IV - Erratum. J. Comput. Chem. 24 (10) (2003)
Takashi Yoshida, Kazuhisa Sakakibara, Masatoshi Asami, Kuo-Hsiang Chen, Jenn-Huei Lii, Norman L. Allinger
Molecular mechanics (MM3) calculations on lithium amide compounds. J. Comput. Chem. 24 (3) (2003)
Jenn-Huei Lii, Kuo-Hsiang Chen, T. Bruce Grindley, Norman L. Allinger
Alcohols, ethers, carbohydrates, and related compounds. III. The 1, 2-dimethoxyethane system. J. Comput. Chem. 24 (12) (2003)
Norman L. Allinger, Kuo-Hsiang Chen, Jenn-Huei Lii, Kathleen A. Durkin
Alcohols, ethers, carbohydrates, and related compounds. I. The MM4 force field for simple compounds. J. Comput. Chem. 24 (12) (2003)
Charles H. Langley, Jenn-Huei Lii, Norman L. Allinger
Molecular mechanics calculations on carbonyl compounds. II. Open-chain ketones. J. Comput. Chem. 22 (13) (2001)
Charles H. Langley, Jenn-Huei Lii, Norman L. Allinger
Molecular mechanics (MM4) calculations on carbonyl compounds part I: aldehydes. J. Comput. Chem. 22 (13) (2001)
Charles H. Langley, Jenn-Huei Lii, Norman L. Allinger
Molecular mechanics calculations on carbonyl compounds. IV. Heats of formation. J. Comput. Chem. 22 (13) (2001)
Charles H. Langley, Jenn-Huei Lii, Norman L. Allinger
Molecular mechanics calculations on carbonyl compounds. III. Cycloketones. J. Comput. Chem. 22 (13) (2001)
Buyong Ma, Jenn-Huei Lii, Norman L. Allinger
Molecular polarizabilities and induced dipole moments in molecular mechanics. J. Comput. Chem. 21 (10) (2000)
Jenn-Huei Lii, Buyong Ma, Norman L. Allinger
Importance of selecting proper basis set in quantum mechanical studies of potential energy surfaces of carbohydrates. J. Comput. Chem. 20 (15) (1999)
Jenn-Huei Lii, Norman L. Allinger
Directional hydrogen bonding in the MM3 force field: II. J. Comput. Chem. 19 (9) (1998)
Sean W. Carrigan, Jenn-Huei Lii, J. Phillip Bowen
MM3(96) parameterization for camptothecin analogs: An ab initio and molecular mechanics study. J. Comput. Aided Mol. Des. 11 (1) (1997)
Norman L. Allinger, Kuo-Hsiang Chen, Jenn-Huei Lii
An improved force field (MM4) for saturated hydrocarbons. J. Comput. Chem. 17 (5-6) (1996)
Neysa Nevins, Jenn-Huei Lii, Norman L. Allinger
Molecular mechanics (MM4) calculations on conjugated hydrocarbons. J. Comput. Chem. 17 (5-6) (1996)