default search action
Google
Google Scholar
Semantic Scholar
Internet Archive Scholar
CiteSeerX
ORCIDArnold T. Hagler
Person information
Refine list
refinements active!
zoomed in on ?? of ?? records
view refined list in
export refined list as
2010 – 2019
- 2019
[j14]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): 133-203 (2019)- [j13]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): 205-264 (2019) - 2013
- [j12]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): 2409-2422 (2013) - 2012
- [j11]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): 1356-1366 (2012)
2000 – 2009
- 2001
- [j10]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): 1782-1800 (2001)
1990 – 1999
- 1998
- [j9]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): 430-458 (1998) - 1997
- [j8]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): 1609-1631 (1997) - 1995
- [j7]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): 145-154 (1995) - [j6]U. Dinur, Arnold T. Hagler:
Geomerty-Dependent Atomic Charges: Methodology and Application to Alkanes, Aldehydes, Ketones, and Amides. J. Comput. Chem. 16(2): 154-170 (1995) - [j5]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): 883-897 (1995) - 1994
- [j4]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): 162-182 (1994) - [j3]Uri Dinur, Arnold T. Hagler:
On the FUnctional Representation of Bond Energy Functions. J. Comput. Chem. 15(9): 919-924 (1994) - [j2]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): 1217-1227 (1994) - 1993
- [j1]Marvin Waldman, Arnold T. Hagler:
New combining rules for rare gas van der waals parameters. J. Comput. Chem. 14(9): 1077-1084 (1993)
Coauthor Index
manage site settings
To protect your privacy, all features that rely on external API calls from your browser are turned off by default. You need to opt-in for them to become active. All settings here will be stored as cookies with your web browser. For more information see our F.A.Q.
Unpaywalled article links
Add open access links from 
to the list of external document links (if available).
Privacy notice: By enabling the option above, your browser will contact the API of unpaywall.org to load hyperlinks to open access articles. Although we do not have any reason to believe that your call will be tracked, we do not have any control over how the remote server uses your data. So please proceed with care and consider checking the Unpaywall privacy policy.
Archived links via Wayback Machine
For web page which are no longer available, try to retrieve content from the 
of the Internet Archive (if available).
Privacy notice: By enabling the option above, your browser will contact the API of archive.org to check for archived content of web pages that are no longer available. Although we do not have any reason to believe that your call will be tracked, we do not have any control over how the remote server uses your data. So please proceed with care and consider checking the Internet Archive privacy policy.
Reference lists
Add a list of references from 
, 
, and 
to record detail pages.
load references from crossref.org and opencitations.net
Privacy notice: By enabling the option above, your browser will contact the APIs of crossref.org, opencitations.net, and semanticscholar.org to load article reference information. Although we do not have any reason to believe that your call will be tracked, we do not have any control over how the remote server uses your data. So please proceed with care and consider checking the Crossref privacy policy and the OpenCitations privacy policy, as well as the AI2 Privacy Policy covering Semantic Scholar.
Citation data
Add a list of citing articles from and to record detail pages.
load citations from opencitations.net
Privacy notice: By enabling the option above, your browser will contact the API of opencitations.net and semanticscholar.org to load citation information. Although we do not have any reason to believe that your call will be tracked, we do not have any control over how the remote server uses your data. So please proceed with care and consider checking the OpenCitations privacy policy as well as the AI2 Privacy Policy covering Semantic Scholar.
OpenAlex data
Load additional information about publications from 
.
Privacy notice: By enabling the option above, your browser will contact the API of openalex.org to load additional information. Although we do not have any reason to believe that your call will be tracked, we do not have any control over how the remote server uses your data. So please proceed with care and consider checking the information given by OpenAlex.
last updated on 2024-04-24 23:14 CEST by the dblp team
all metadata released as open data under CC0 1.0 license
see also: Terms of Use | Privacy Policy | Imprint
dblp was originally created in 1993 at:
since 2018, dblp has been operated and maintained by:
the dblp computer science bibliography is funded and supported by:
