default search action
Google
Google Scholar
Semantic Scholar
Internet Archive Scholar
CiteSeerX
ORCIDDennis R. Salahub
Person information
Refine list
refinements active!
zoomed in on ?? of ?? records
view refined list in
export refined list as
2020 – today
- 2024
[j16]Maicon Pierre Lourenço
, Jirí Hostas, Colin Bellinger, Alain Tchagang, Dennis R. Salahub:
Reinforcement learning for in silico determination of adsorbate - substrate structures. J. Comput. Chem. 45(15): 1289-1302 (2024)- [j15]Lizandra Barrios Herrera, Maicon Pierre Lourenço, Jirí Hostas, Patrizia Calaminici, Andreas M. Köster, Alain Tchagang, Dennis R. Salahub:
Active-learning for global optimization of Ni-Ceria nanoparticles: The case of Ce4-xNixO8-x (x = 1, 2, 3). J. Comput. Chem. 45(19, July): 1643-1656 (2024) - 2023
- [j14]Maicon Pierre Lourenço, Jirí Hostas, Lizandra Barrios Herrera, Patrizia Calaminici, Andreas M. Köster, Alain Tchagang, Dennis R. Salahub:
GAMaterial - A genetic-algorithm software for material design and discovery. J. Comput. Chem. 44(7): 814-823 (2023) - 2022
- [j13]Mosayeb Naseri, Jaafar Jalilian, Dennis R. Salahub, Maicon Pierre Lourenço, Ghasem Rezaei:
Hexatetra-Carbon: A Novel Two-Dimensional Semiconductor Allotrope of Carbon. Comput. 10(2): 19 (2022) - [j12]Yanyi Chu, Yan Zhang, Qiankun Wang, Lingfeng Zhang, Xuhong Wang, Yanjing Wang, Dennis Russell Salahub, Qin Xu, Jianmin Wang, Xue Jiang, Yi Xiong, Dong-Qing Wei:
A transformer-based model to predict peptide-HLA class I binding and optimize mutated peptides for vaccine design. Nat. Mach. Intell. 4(3): 300-311 (2022) - [j11]Rishabh Rishabh, Hadi Zadeh-Haghighi, Dennis R. Salahub, Christoph Simon:
Radical pairs may explain reactive oxygen species-mediated effects of hypomagnetic field on neurogenesis. PLoS Comput. Biol. 18(6) (2022) - 2021
- [j10]Yanyi Chu, Aman Chandra Kaushik, Xiangeng Wang, Wei Wang, Yufang Zhang, Xiaoqi Shan, Dennis Russell Salahub, Yi Xiong, Dong-Qing Wei:
DTI-CDF: a cascade deep forest model towards the prediction of drug-target interactions based on hybrid features. Briefings Bioinform. 22(1): 451-462 (2021) - [j9]Yanyi Chu, Xiaoqi Shan, Tianhang Chen, Mingming Jiang, Yanjing Wang, Qiankun Wang, Dennis Russell Salahub, Yi Xiong, Dong-Qing Wei:
DTI-MLCD: predicting drug-target interactions using multi-label learning with community detection method. Briefings Bioinform. 22(3) (2021) - [j8]Yanyi Chu, Xuhong Wang, Qiuying Dai, Yanjing Wang, Qiankun Wang, Shaoliang Peng, Xiaoyong Wei, Jingfei Qiu, Dennis Russell Salahub, Yi Xiong, Dong-Qing Wei:
MDA-GCNFTG: identifying miRNA-disease associations based on graph convolutional networks via graph sampling through the feature and topology graph. Briefings Bioinform. 22(6) (2021)
2010 – 2019
- 2011
- [j7]Aurélien de la Lande, Dennis R. Salahub, Jacques Maddaluno, Anthony Scemama, Julien Pilmé, Olivier Parisel, Helene Gerard, Michel Caffarel, Jean-Philip Piquemal:
Spin-driven activation of dioxygen in various metalloenzymes and their inspired models. J. Comput. Chem. 32(6): 1178-1182 (2011) - 2010
- [j6]Bogdan Lev, Rui Zhang, Aurélien de la Lande, Dennis R. Salahub, Sergei Yu Noskov:
The QM-MM interface for CHARMM-deMon. J. Comput. Chem. 31(5): 1015-1023 (2010)
2000 – 2009
- 2007
- [j5]Petr Jurecka, Jirí Cerný, Pavel Hobza, Dennis R. Salahub:
Density functional theory augmented with an empirical dispersion term. Interaction energies and geometries of 80 noncovalent complexes compared with ab initio quantum mechanics calculations. J. Comput. Chem. 28(2): 555-569 (2007) - 2004
- [j4]Nohad Gresh, Sherif A. Kafafi, Jean-François Truchon, Dennis R. Salahub:
Intramolecular interaction energies in model alanine and glycine tetrapeptides. Evaluation of anisotropy, polarization, and correlation effects. A parallel ab initio HF/MP2, DFT, and polarizable molecular mechanics study. J. Comput. Chem. 25(6): 823-834 (2004) - 2003
- [j3]Suzanne W. Sirois, Emil I. Proynov, Jean-François Truchon, Christos M. Tsoukas, Dennis R. Salahub:
A density functional study of the hydrogen-bond network within the HIV-1 protease catalytic site cleft. J. Comput. Chem. 24(9): 1110-1119 (2003)
1990 – 1999
- 1997
- [j2]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
- [j1]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)
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 2024-10-11 17:28 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:
