New combining rules for rare gas van der waals parameters. - Marvin Waldman; Arnold T. Hagler (J. Comput. Chem., 1993)

The Effects of Solvent Screening in Quantum Mechanical Calculations in Protein Systems. - Kim K. Baldridge; R. Fine; Arnold T. Hagler (J. Comput. Chem., 1994)

On the FUnctional Representation of Bond Energy Functions. - Uri Dinur; Arnold T. Hagler (J. Comput. Chem., 1994)

Derication of Class II Force Fields. I. Methology and Quantum Force Field for the Alkyl Functional Group and Alkane Molecules. - J. R. Maple; Ming-Jing Hwang; Thomas P. Stockfisch; Uri Dinur; Marvin Waldman; Carl S. Ewig; Arnold T. Hagler (J. Comput. Chem., 1994)

Applications of the Adiabatic Connection Method to Conformational Equilibria and Reactions Involving Formic Acid. - Jan W. Andzelm; T. Nguyen Dzung; Rolf Eggenberger; Dennis R. Salahub; Arnold T. Hagler (Comput. Chem., 1995)

Geomerty-Dependent Atomic Charges: Methodology and Application to Alkanes, Aldehydes, Ketones, and Amides. - U. Dinur; Arnold T. Hagler (J. Comput. Chem., 1995)

Force Field Studies of Cholesterol and Chelesteryl Acetate Crystals and Cholesterol-Cholesterol Intermolecular Interactions. - Congxin Liang; Liqun Yan; Jörg-Rüdiger Hill; Carl S. Ewig; Terry R. Stouch; Arnold T. Hagler (J. Comput. Chem., 1995)

A density functional study of the glycine molecule: Comparison with post-Hartree-Fock calculations and experiment. - T. Nguyen Dzung; Andrew C. Scheiner; Jan W. Andzelm; Suzanne W. Sirois; Dennis R. Salahub; Arnold T. Hagler (J. Comput. Chem., 1997)

Derivation of class II force fields: V. Quantum force field for amides, peptides, and related compounds. - J. R. Maple; Ming-Jing Hwang; Karl James Jalkanen; Thomas P. Stockfisch; Arnold T. Hagler (J. Comput. Chem., 1998)

Derivation of class II force fields. VIII. Derivation of a general quantum mechanical force field for organic compounds. - 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; et al. (J. Comput. Chem., 2001)

On the Value of Homology Models for Virtual Screening: Discovering hCXCR3 Antagonists by Pharmacophore-Based and Structure-Based Approaches. - Dane Huang; Qiong Gu; Hu Ge; Jiming Ye; Noeris K. Salam; Arnold T. Hagler; Hongzhuan Chen; Jun Xu 017 (J. Chem. Inf. Model., 2012)

Discovery of New Selective Human Aldose Reductase Inhibitors through Virtual Screening Multiple Binding Pocket Conformations. - Ling Wang; Qiong Gu; Xuehua Zheng; Jiming Ye; Zhihong Liu; Jiabo Li; Xiaopeng Hu; Arnold T. Hagler; Jun Xu 017 (J. Chem. Inf. Model., 2013)

Biomolecular force fields: where have we been, where are we now, where do we need to go and how do we get there? - Pnina Dauber-Osguthorpe; Arnold T. Hagler (J. Comput. Aided Mol. Des., 2019)

Force field development phase II: Relaxation of physics-based criteria... or inclusion of more rigorous physics into the representation of molecular energetics. - Arnold T. Hagler (J. Comput. Aided Mol. Des., 2019)