X
Search Filters
Format Format
Subjects Subjects
Subjects Subjects
X
Sort by Item Count (A-Z)
Filter by Count
index medicus (6) 6
chemistry, physical (3) 3
machine learning (3) 3
physics, atomic, molecular & chemical (3) 3
bioinformatics (2) 2
chemistry (2) 2
freeware (2) 2
gene regulation (2) 2
neural networks (2) 2
open source software (2) 2
optimization (2) 2
pharmacology (2) 2
proteins (2) 2
software (2) 2
source code (2) 2
1-phosphatidylinositol 3-kinase (1) 1
ab-initio (1) 1
accuracy (1) 1
adaptive structures (1) 1
algorithms (1) 1
analysis (1) 1
androgen receptor (1) 1
antagonism (1) 1
aqueous ammonia solution (1) 1
artificial intelligence (1) 1
artificial neural networks (1) 1
automation (1) 1
biochemical research methods (1) 1
biochemistry, genetics and molecular biology (1) 1
biological electron-transfer (1) 1
biology (1) 1
biomarkers (1) 1
biotechnology & applied microbiology (1) 1
breast-cancer (1) 1
cancer (1) 1
cell (1) 1
cell lines (1) 1
charge transfer (1) 1
chemical reactions (1) 1
chip-seq (1) 1
clustering (1) 1
communities (1) 1
complete basis-set (1) 1
computation (1) 1
computational chemistry (1) 1
computer applications (1) 1
computer science, interdisciplinary applications (1) 1
computer science, software engineering (1) 1
computer science, theory & methods (1) 1
configuration interaction (1) 1
design (1) 1
design engineering (1) 1
dna motif finding (1) 1
drug discovery (1) 1
dynamics (1) 1
educational software (1) 1
elastic-net (1) 1
electrochemical reduction (1) 1
electronic structure (1) 1
environment models (1) 1
expression data (1) 1
extensibility (1) 1
force-field (1) 1
formaldehyde (1) 1
gaussian process (1) 1
gaussian process regression (1) 1
gene (1) 1
gene regulatory network inference (1) 1
gene regulatory networks (1) 1
genomics (1) 1
heterogeneous catalysts (1) 1
high-throughput screening (1) 1
hydration (1) 1
identification methods (1) 1
inhibition (1) 1
interoperability (1) 1
intrinsically disordered proteins (1) 1
kinases (1) 1
knowledge bases (1) 1
landscape (1) 1
lda (1) 1
line positions (1) 1
mathematical & computational biology (1) 1
medicine (1) 1
models, theoretical (1) 1
molecular-dynamics simulations (1) 1
multidisciplinary sciences (1) 1
mutations (1) 1
n-methylacetamide (1) 1
natural sciences (1) 1
nmr (1) 1
oniom-xs (1) 1
organic chemistry (1) 1
partitioning qm/mm (1) 1
pathway (1) 1
performance (1) 1
physics and astronomy (1) 1
plant genetics & gene expression (1) 1
potential energy (1) 1
predictions (1) 1
more...
Language Language
Publication Date Publication Date
Click on a bar to filter by decade
Slide to change publication date range


Journal of computer-aided molecular design, ISSN 0920-654X, 05/2019, Volume 33, Issue 5, pp. 477 - 486
Comparing fragment based molecular fingerprints of drug-like molecules is one of the most robust and frequently used approaches in computer-assisted drug... 
Educational software | Drug discovery | Neural networks | Analysis | Machine learning | Proteins | Substructures | Artificial neural networks | Environment models | Pharmacology | Kinases | Optimization
Journal Article
JOURNAL OF CHEMICAL THEORY AND COMPUTATION, ISSN 1549-9618, 08/2019, Volume 15, Issue 8, pp. 4362 - 4373
Adaptive quantum mechanics/molecular mechanics (QM/MM) approaches are able to treat systems with dynamic or nonlocalized active centers by allowing for... 
ONIOM-XS | N-METHYLACETAMIDE | AB-INITIO | PHYSICS, ATOMIC, MOLECULAR & CHEMICAL | CHEMISTRY | CHEMISTRY, PHYSICAL | AQUEOUS AMMONIA SOLUTION | MOLECULAR-DYNAMICS SIMULATIONS | PARTITIONING QM/MM | SOLVATION | HYDRATION | WATER | Adaptive structures | Freeware | Quantum mechanics | Software | Extensibility | Source code | Open source software
Journal Article
Journal of Chemical Information and Modeling, ISSN 1549-9596, 11/2019, Volume 59, Issue 11, pp. 4814 - 4820
Journal Article
The Journal of Systems & Software, ISSN 0164-1212, 08/2018, Volume 142, pp. 21 - 34
Categorizing software and detecting similar programs are useful for various purposes including expertise sharing, program comprehension, and rapid prototyping.... 
Topic modeling | LDA | Similar applications detection | Source code analysis | Software categorization | COMPUTER SCIENCE, SOFTWARE ENGINEERING | COMPUTER SCIENCE, THEORY & METHODS
Journal Article
F1000Research, ISSN 2046-1402, 2017, Volume 6, p. 372
Motivation: The increasing availability of chromatin immunoprecipitation sequencing (ChIP-Seq) data enables us to learn more about the action of transcription... 
Bioinformatics | Plant Genetics & Gene Expression | Genomics | ChIP-Seq | Transcription factor | Transcriptional regulation | Gene regulation
Journal Article
by Menden, Michael P and Wang, Dennis and Mason, Mike J and Szalai, Bence and Bulusu, Krishna C and Guan, Yuanfang and Yu, Thomas and Kang, Jaewoo and Jeon, Minji and Wolfinger, Russ and Nguyen, Tin and Zaslavskiy, Mikhail and Abante, Jordi and Abecassis, Barbara Schmitz and Aben, Nanne and Aghamirzaie, Delasa and Aittokallio, Tero and Akhtari, Farida S and Al-lazikani, Bissan and Alam, Tanvir and Allam, Amin and Allen, Chad and de Almeida, Mariana Pelicano and Altarawy, Doaa and Alves, Vinicius and Amadoz, Alicia and Anchang, Benedict and Antolin, Albert A and Ash, Jeremy R and Aznar, Victoria Romeo and Ba-alawi, Wail and Bagheri, Moeen and Bajic, Vladimir and Ball, Gordon and Ballester, Peo J and Baptista, Delora and Bare, Christopher and Bateson, Mathilde and Bender, Aneas and Bertrand, Denis and Wijayawardena, Bhagya and Boroevich, Keith A and Bosiesz, Evert and Bougouffa, Salim and Bounova, Gergana and Brouwer, Thomas and Bryant, Barbara and Calaza, Manuel and Calderone, Alberto and Calza, Stefano and Capuzzi, Stephen and Carbonell-Caballero, Jose and Carlin, Daniel and Carter, Hannah and Castagnoli, Luisa and Celebi, Remzi and Cesareni, Gianni and Chang, Hyeokyoon and Chen, Guocai and Chen, Haoran and Chen, Huiyuan and Cheng, Lijun and Chernomoretz, Ariel and Chicco, Davide and Cho, Kwang Hyun and Cho, Sunghwan and Choi, Daeseon and Choi, Jaejoon and Choi, Kwanghun and Choi, Minsoo and Cock, Martine De and Coker, Elizabeth and Cortes-Ciriano, Isio and Cserzö, Miklós and Cubuk, Cankut and Curtis, Christina and Daele, es Van and Dang, Cuong C and Dijkstra, Tjeerd and Dopazo, Joaquin and ghici, Sorin and sou, Anastasios and Dumontier, Michel and Ehrhart, Friederike and Eid, Fatma Elzahraa and ElHefnawi, Mahmoud and Elmarakeby, Haitham and van Engelen, Bo and Engin, Hatice Billur and de Esch, Iwan and Evelo, Chris and Falcao, Ane O and Farag, Sherif and Fernandez-Lozano, Carlos and Fisch, Kathleen and Flobak, Asmund and Fornari, Chiara and Foroushani, Amir B.K and Fotso, Donatien Chedom and Fourches, Denis and ...
Nature Communications, ISSN 2041-1723, 12/2019, Volume 10, Issue 1
The effectiveness of most cancer targeted therapies is short-lived. Tumors often develop resistance that might be overcome with drug combinations. However, the... 
Physics and Astronomy(all) | Chemistry(all) | Biochemistry, Genetics and Molecular Biology(all)
Journal Article
Lecture Notes in Computer Science (including subseries Lecture Notes in Artificial Intelligence and Lecture Notes in Bioinformatics), ISSN 0302-9743, 2009, Volume 5780, pp. 13 - 23
Conference Proceeding
No results were found for your search.

Cannot display more than 1000 results, please narrow the terms of your search.