Arnold T. Hagler

Publication Activity (10 Years)

Years Active: 1993-2019
Publications (10 Years): 2

Top Topics

Protein Protein Interactions

Probabilistic Model

Virtual Screening

Top Venues

J. Chem. Inf. Model.

J. Comput. Aided Mol. Des.

Publications

Arnold T. Hagler
Force field development phase II: Relaxation of physics-based criteria... or inclusion of more rigorous physics into the representation of molecular energetics. J. Comput. Aided Mol. Des. 33 (2) (2019)
Pnina Dauber-Osguthorpe, Arnold T. Hagler
Biomolecular force fields: where have we been, where are we now, where do we need to go and how do we get there? J. Comput. Aided Mol. Des. 33 (2) (2019)
Ling Wang, Qiong Gu, Xuehua Zheng, Jiming Ye, Zhihong Liu, Jiabo Li, Xiaopeng Hu, Arnold T. Hagler, Jun Xu
Discovery of New Selective Human Aldose Reductase Inhibitors through Virtual Screening Multiple Binding Pocket Conformations. J. Chem. Inf. Model. 53 (9) (2013)
Dane Huang, Qiong Gu, Hu Ge, Jiming Ye, Noeris K. Salam, Arnold T. Hagler, Hongzhuan Chen, Jun Xu
On the Value of Homology Models for Virtual Screening: Discovering hCXCR3 Antagonists by Pharmacophore-Based and Structure-Based Approaches. J. Chem. Inf. Model. 52 (5) (2012)
Carl S. Ewig, Rajiv Berry, Uri Dinur, Jörg-Rüdiger Hill, Ming-Jing Hwang, Haiying Li, Chris Liang, Jon Maple, Zhengwei Peng, Thomas P. Stockfisch, Thomas S. Thacher, Lisa Yan, Xiangshan Ni, Arnold T. Hagler
Derivation of class II force fields. VIII. Derivation of a general quantum mechanical force field for organic compounds. J. Comput. Chem. 22 (15) (2001)
J. R. Maple, Ming-Jing Hwang, Karl James Jalkanen, Thomas P. Stockfisch, Arnold T. Hagler
Derivation of class II force fields: V. Quantum force field for amides, peptides, and related compounds. J. Comput. Chem. 19 (4) (1998)
T. Nguyen Dzung, Andrew C. Scheiner, Jan W. Andzelm, Suzanne W. Sirois, Dennis R. Salahub, Arnold T. Hagler
A density functional study of the glycine molecule: Comparison with post-Hartree-Fock calculations and experiment. J. Comput. Chem. 18 (13) (1997)
U. Dinur, Arnold T. Hagler
Geomerty-Dependent Atomic Charges: Methodology and Application to Alkanes, Aldehydes, Ketones, and Amides. J. Comput. Chem. 16 (2) (1995)
Congxin Liang, Liqun Yan, Jörg-Rüdiger Hill, Carl S. Ewig, Terry R. Stouch, Arnold T. Hagler
Force Field Studies of Cholesterol and Chelesteryl Acetate Crystals and Cholesterol-Cholesterol Intermolecular Interactions. J. Comput. Chem. 16 (7) (1995)
Jan W. Andzelm, T. Nguyen Dzung, Rolf Eggenberger, Dennis R. Salahub, Arnold T. Hagler
Applications of the Adiabatic Connection Method to Conformational Equilibria and Reactions Involving Formic Acid. Comput. Chem. 19 (3) (1995)
Kim K. Baldridge, R. Fine, Arnold T. Hagler
The Effects of Solvent Screening in Quantum Mechanical Calculations in Protein Systems. J. Comput. Chem. 15 (11) (1994)
Uri Dinur, Arnold T. Hagler
On the FUnctional Representation of Bond Energy Functions. J. Comput. Chem. 15 (9) (1994)
J. R. Maple, Ming-Jing Hwang, Thomas P. Stockfisch, Uri Dinur, Marvin Waldman, Carl S. Ewig, Arnold T. Hagler
Derication of Class II Force Fields. I. Methology and Quantum Force Field for the Alkyl Functional Group and Alkane Molecules. J. Comput. Chem. 15 (2) (1994)
Marvin Waldman, Arnold T. Hagler
New combining rules for rare gas van der waals parameters. J. Comput. Chem. 14 (9) (1993)