default search action
Google
Google Scholar
Semantic Scholar
Internet Archive Scholar
CiteSeerX
ORCIDThomas A. Halgren
Person information
Refine list
refinements active!
zoomed in on ?? of ?? records
view refined list in
export refined list as
2000 – 2009
- 2009
[j12]Thomas A. Halgren:
Identifying and Characterizing Binding Sites and Assessing Druggability. J. Chem. Inf. Model. 49(2): 377-389 (2009)- 2005
- [j11]Jay L. Banks, Hege S. Beard, Yixiang X. Cao, Art E. Cho, Wolfgang Damm, Ramy Farid, Anthony K. Felts, Thomas A. Halgren, Daniel T. Mainz, Jon R. Maple, Robert B. Murphy, Dean M. Philipp, Matthew P. Repasky, Linda Yu Zhang, Bruce J. Berne, Richard A. Friesner, Emilio Gallicchio, Ronald M. Levy:
Integrated Modeling Program, Applied Chemical Theory (IMPACT). J. Comput. Chem. 26(16): 1752-1780 (2005) - 2002
- [j10]George A. Kaminski, Harry A. Stern, Bruce J. Berne, Richard A. Friesner, Yixiang X. Cao, Robert B. Murphy, Ruhong Zhou
, Thomas A. Halgren:
Development of a polarizable force field for proteins via ab initio quantum chemistry: First generation model and gas phase tests. J. Comput. Chem. 23(16): 1515-1531 (2002)
1990 – 1999
- 1999
- [j9]Thomas A. Halgren:
MMFF VI. MMFF94s option for energy minimization studies. J. Comput. Chem. 20(7): 720-729 (1999) - [j8]Thomas A. Halgren:
MMFF VII. Characterization of MMFF94, MMFF94s, and other widely available force fields for conformational energies and for intermolecular-interaction energies and geometries. J. Comput. Chem. 20(7): 730-748 (1999) - [j7]Bruce L. Bush, Christopher I. Bayly, Thomas A. Halgren:
Consensus bond-charge increments fitted to electrostatic potential or field of many compounds: Application to MMFF94 training set. J. Comput. Chem. 20(14): 1495-1516 (1999) - 1996
- [j6]Thomas A. Halgren:
Merck molecular force field. I. Basis, form, scope, parameterization, and performance of MMFF94. J. Comput. Chem. 17(5-6): 490-519 (1996) - [j5]Thomas A. Halgren:
Merck molecular force field. II. MMFF94 van der Waals and electrostatic parameters for intermolecular. interactions. J. Comput. Chem. 17(5-6): 520-552 (1996) - [j4]Thomas A. Halgren:
Merck molecular force field. III. Molecular geometries and vibrational frequencies for MMFF94. J. Comput. Chem. 17(5-6): 553-586 (1996) - [j3]Thomas A. Halgren, Robert B. Nachbar:
Merck molecular force field. IV. conformational energies and geometries for MMFF94. J. Comput. Chem. 17(5-6): 587-615 (1996) - [j2]Thomas A. Halgren:
Merck molecular force field. V. Extension of MMFF94 using experimental data, additional computational data, and empirical rules. J. Comput. Chem. 17(5-6): 616-641 (1996) - 1995
- [j1]Alain St.-Amant, Wendy D. Cornell, Peter A. Kollman, Thomas A. Halgren:
Calculation of Molecular Geometries, Relative Conformational Energies, Dipole Moments, and Molecular Electrostatic Potential Fitted Charges of Small Organic Molecules of Biochemical Interest by Density Function Theory. J. Comput. Chem. 16(12): 1483-1506 (1995)
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 22:52 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:
