Arnold T. Hagler

According to our database, Arnold T. Hagler authored at least 14 papers between 1993 and 2019.

Collaborative distances:

• Dijkstra number of five.
• Erdős number of four.

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

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

2013

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

J. Chem. Inf. Model., 2013

2012

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

J. Chem. Inf. Model., 2012

2001

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, Xiangshan Ni, Arnold T. Hagler

J. Comput. Chem., 2001

1998

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

1997

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

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

Geomerty-Dependent Atomic Charges: Methodology and Application to Alkanes, Aldehydes, Ketones, and Amides.

U. Dinur, Arnold T. Hagler

J. Comput. Chem., 1995

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

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

On the FUnctional Representation of Bond Energy Functions.

Uri Dinur, Arnold T. Hagler

J. Comput. Chem., 1994

The Effects of Solvent Screening in Quantum Mechanical Calculations in Protein Systems.

Kim K. Baldridge, R. Fine, Arnold T. Hagler

J. Comput. Chem., 1994

1993

New combining rules for rare gas van der waals parameters.

Marvin Waldman, Arnold T. Hagler

J. Comput. Chem., 1993