X
Search Filters
Format Format
Subjects Subjects
Subjects Subjects
X
Sort by Item Count (A-Z)
Filter by Count
index medicus (8) 8
molecular dynamics (4) 4
quantum chemistry (4) 4
analysis (3) 3
chemistry, physical (3) 3
molecular-dynamics simulations (3) 3
proteins (3) 3
software (3) 3
computer simulation (2) 2
density functional theory (2) 2
density-functional theory (2) 2
embedding (2) 2
flavins - chemistry (2) 2
fragment potential method (2) 2
immunologic diseases. allergy (2) 2
molecular dynamics simulation (2) 2
molecular mechanics (2) 2
physics, atomic, molecular & chemical (2) 2
quantum theory (2) 2
receptor (2) 2
research (2) 2
response theory (2) 2
visualization (2) 2
3d-reconstruction (1) 1
[ phys.cond.cm-ms ] physics [physics]/condensed matter [cond-mat]/materials science [cond-mat.mtrl-sci] (1) 1
[ sdv ] life sciences [q-bio] (1) 1
[phys.cond.cm-ms]physics [physics]/condensed matter [cond-mat]/materials science [cond-mat.mtrl-sci] (1) 1
[sde.be]environmental sciences/biodiversity and ecology (1) 1
[sde]environmental sciences (1) 1
[sdu.envi]sciences of the universe [physics]/continental interfaces, environment (1) 1
[sdu.stu]sciences of the universe [physics]/earth sciences (1) 1
[sdv] life sciences [q-bio] (1) 1
[sdv]life sciences [q-bio] (1) 1
adapted perturbation-theory (1) 1
adjuvants (1) 1
adult glioma (1) 1
algebra (1) 1
algebraic diagrammatic construction methods (1) 1
algorithms (1) 1
alleles (1) 1
analytic energy gradients (1) 1
aniline compounds - chemistry (1) 1
aniline compounds/chemistry (1) 1
animals (1) 1
anisotropy (1) 1
archaea - chemistry (1) 1
article subject (1) 1
artificial neural network (1) 1
asthma (1) 1
atoms (1) 1
bacillus cereus (1) 1
bacteria (1) 1
binding-protein (1) 1
bioavailability (1) 1
biochemical research methods (1) 1
biochemistry (1) 1
biodiversity and ecology (1) 1
biomarkers (1) 1
biophysics (1) 1
bladder cancer (1) 1
bladder phantom model (1) 1
bone marrow (1) 1
brain cancer (1) 1
brain neoplasms - classification (1) 1
brain neoplasms - genetics (1) 1
breast-cancer (1) 1
brown trout (1) 1
c (1) 1
carcinoma (1) 1
cd4 antigen (1) 1
central-nervous-system (1) 1
charcoal - chemistry (1) 1
charge simulation (1) 1
charge transfer (1) 1
charge-transfer (1) 1
chemical properties (1) 1
chemical sciences (1) 1
chemistry: 440 (1) 1
circular dichroism (1) 1
cohesin (1) 1
complex (1) 1
complexes (1) 1
complexity (1) 1
computation (1) 1
computational approach (1) 1
computational spectroscopy (1) 1
computer technology: 551 (1) 1
condensed matter (1) 1
configuration interaction (1) 1
configuration-interaction (1) 1
continuum model (1) 1
coupled-cluster methods (1) 1
cutting edge (1) 1
cystoscopy (1) 1
cytokines (1) 1
data processing (1) 1
datateknologi: 551 (1) 1
degranulation (1) 1
dendritic cells (1) 1
diagrammatic construction scheme (1) 1
more...
Language Language
Publication Date Publication Date
Click on a bar to filter by decade
Slide to change publication date range


Biophysical journal, ISSN 0006-3495, 2018, Volume 114, Issue 3, pp. 577 - 583
Molecular dynamics (MD) simulations have become ubiquitous in all areas of life sciences. The size and model complexity of MD simulations are rapidly growing... 
BIOPHYSICS | MECHANISM | RECOGNITION | LIBRARY | RECEPTOR | TOOLKIT | MOLECULAR-DYNAMICS SIMULATIONS | PROTEINS | SOFTWARE | Models | Analysis | Visualization (Computers) | Protein-protein interactions | Proteins
Journal Article
Wiley interdisciplinary reviews. Computational molecular science, ISSN 1759-0884, 2019
An open-source program named VeloxChem has been developed for the calculation of electronic real and complex linear response functions at the levels of... 
high‐performance computing (HPC) | OpenMP | ECD | MPI | density functional theory (DFT) | circular dichroism | UV/vis | response theory
Journal Article
Nature methods, ISSN 1548-7091, 5/2018, Volume 15, Issue 5, pp. 351 - 354
Applications of hybrid QM/MM methods range from reactions in active sites of small enzymes to multiple sites in large bioenergetic complexes. By combining the... 
Journal Article
Chemical science (Cambridge), ISSN 2041-6520, 6/2020, Volume 11, Issue 23, pp. 636 - 644
The surprisingly low rupture force and remarkable mechanical anisotropy of rubredoxin have been known for several years. Exploiting the first combination of... 
Journal Article
Chemical science (Cambridge), ISSN 2041-6520, 06/2020, Volume 11, Issue 23, pp. 6036 - 6044
The surprisingly low rupture force and remarkable mechanical anisotropy of rubredoxin have been known for several years. Exploiting the first combination of... 
Journal Article
Chemical science (Cambridge), ISSN 2041-6520, 01/2020, Volume 11, Issue 23, pp. 6036 - 6044
The surprisingly low rupture force and remarkable mechanical anisotropy of rubredoxin have been known for several years. Exploiting the first combination of... 
Quantum chemistry | Hydrogen bonds | Anisotropy | Energy distribution | Rupture | Molecular dynamics | Mechanical properties | Strain
Journal Article
The Journal of Physical Chemistry B, ISSN 1520-6106, 11/2017, Volume 121, Issue 46, pp. 10457 - 10466
Photoinduced biochemical reactions are ubiquitously governed by derivatives of flavin, which is a key player in a manifold of cellular redox reactions. The... 
EXCITED-STATE | PROTEIN NANOSPACE | BINDING-PROTEIN | DYNAMICS | CHEMISTRY, PHYSICAL | TRANSITION-STATES | FEMTOSECOND | FORCE-FIELDS | FLAVOPROTEINS | DIAGRAMMATIC CONSTRUCTION SCHEME | POLARIZATION PROPAGATOR
Journal Article
Biophysical journal, ISSN 0006-3495, 02/2018, Volume 114, Issue 3, p. 577
Molecular dynamics (MD) simulations have become ubiquitous in all areas of life sciences. The size and model complexity of MD simulations are rapidly growing... 
Statistical analysis | Computer simulation | Structural stability | Molecular dynamics | Data processing | Biochemistry | Stability analysis | Complexity | Proteins | Molecules | Algorithms | Simulation | Graphical user interface | Cohesin | Protein interaction | Scientific visualization
Journal Article
Wiley interdisciplinary reviews. Computational molecular science, ISSN 1759-0884, 2020
ADC-connect (adcc) is a hybrid python/C++ module for performing excited state calculations based on the algebraic-diagrammatic construction scheme for the... 
Journal Article
The journal of physical chemistry. B, 11/2017, Volume 121, Issue 46, p. 10457
Photoinduced biochemical reactions are ubiquitously governed by derivatives of flavin, which is a key player in a manifold of cellular redox reactions. The... 
Protons | Magnesium - chemistry | Electron Transport - radiation effects | Archaea - chemistry | Flavins - chemistry | Molecular Dynamics Simulation | Photochemical Processes
Journal Article
by Hilger, Christiane and Swiontek, Kyra and Fischer, Jörg and Hentges, François and Lehners, Christiane and Morisset, Martine and Eberlein, Bernadette and Biedermann, Tilo and Ollert, Markus and Wildner, Sabrina and Stemeseder, Teresa and Freier, Regina and Briza, Peter and Lang, Roland and Batanero, Eva and Villalba, Mayte and Lidholm, Jonas and Hawranek, Thomas and Ferreira, Fatima and Brandstetter, Hans and Gadermaier, Gabriele and Moingeon, Philippe and Groeme, Rachel and Bouley, Julien and Bordas, Véronique and Le Mignon, Maxime and Bussières, Laetitia and Lautrette, Aurélie and Mascarell, Laurent and Lombardi, Vincent and Baron-Bodo, Véronique and Chabre, Henri and Batard, Thierry and Nony, Emmanuel and De Amicis, Karine Marafigo and Watanabe, Alexandra Sayuri and Figo, Daniele Danella and Dos Santos-Pinto, José Roberto Aparecido and Palma, Mario Sergio and Castro, Fabio Fernandes Morato and Kalil, Jorge and Wohlschlager, Therese and Ferreira-Briza, Fatima and Santos, Keity Souza and Faber, Margaretha and Van Gasse, Athina and Sabato, Vito and Hagendorens, Margo M and Bridts, Chris H and De Clerck, Luc S and Perales, Araceli Diaz and Ebo, Didier and Zavadakova, Petra and Buchwalder, Aurélie and Rebeaud, Fabien and Märki, Iwan and Gepp, Barbara and Lengger, Nina and Möbs, Christian and Pfützner, Wolfgang and Radauer, Christian and Bohle, Barbara and Galvao, Clovis Eduardo and Santos-Pinto, Jose Roberto Aparecido and Schwager, Christian and Kull, Skadi and Schocker, Frauke and Behrends, Jochen and Becker, Wolf-Meinhard and Jappe, Uta and Mastrorilli, Carla and Tripodi, Salvatore and Caffarelli, Carlo and Asero, Riccardo and Dondi, Arianna and Ricci, Giampaolo and Dascola, Carlotta Povesi and Calamelli, Elisabetta and Di Rienzo Businco, Andrea and Bianchi, Annamaria and Frediani, Tullio and Verga, Carmen and Iacono, Iride Dello and Peroni, Diego and Pingitore, Giuseppe and Bernardini, Roberto and Matricardi, Paolo Maria and Hofer, Heidi and Asam, Claudia and Hauser, Michael and Himly, Martin and Ebner, Christof and Lemoine, Pierrick and Jain, Karine and Abiteboul, Kathy and Arvidsson, Monica and Rak, Sabina and Mota, Inês and Garcia, Filipe Benito and Gaspar, Angela and ...
Clinical and translational allergy, ISSN 2045-7022, 10/2016, Volume 6, Issue S2, pp. 1 - 34
Table of contents ORAL ABSTRACTS Symposium 1: Biochemistry, structure and environment of the allergen: what makes a protein an allergen? O1 Two cell-membrane... 
Journal Article
No results were found for your search.

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