X
Search Filters
Format Format
Subjects Subjects
Subjects Subjects
X
Sort by Item Count (A-Z)
Filter by Count
models, molecular (32) 32
index medicus (31) 31
biochemistry & molecular biology (30) 30
chemistry (28) 28
chemistry, organic (27) 27
chemistry, multidisciplinary (25) 25
chemistry, physical (25) 25
glycosyltransferases (20) 20
organic chemistry (19) 19
carbohydrate conformation (18) 18
chemistry, applied (18) 18
quantum theory (17) 17
metallurgy (16) 16
thermodynamics (16) 16
molecular sequence data (15) 15
carbohydrate sequence (14) 14
crystal-structure (14) 14
enzymes (13) 13
analysis (11) 11
binding sites (11) 11
humans (11) 11
inhibitors (11) 11
molecular dynamics simulation (11) 11
catalysis (10) 10
computer simulation (10) 10
force-field (10) 10
molecular modeling (10) 10
saccharides (10) 10
biophysics (9) 9
catalytic mechanism (9) 9
conformation (9) 9
density functionals (9) 9
hydrogen bonding (9) 9
models, chemical (9) 9
molecular conformation (9) 9
molecular structure (9) 9
peptides (9) 9
heterocyclic compounds (8) 8
human necessities (8) 8
hygiene (8) 8
medical or veterinary science (8) 8
molecular modelling (8) 8
molecular-dynamics (8) 8
preparations for medical, dental, or toilet purposes (8) 8
specific therapeutic activity of chemical compounds ormedicinal preparations (8) 8
beer (7) 7
biochemistry (7) 7
carbohydrates (7) 7
compositions thereof (7) 7
culture media (7) 7
enzymology (7) 7
glycosyltransferases - chemistry (7) 7
microbiology (7) 7
microorganisms or enzymes (7) 7
molecular dynamics (7) 7
mutation or genetic engineering (7) 7
n-acetylglucosaminyltransferases - chemistry (7) 7
nmr (7) 7
propagating, preserving or maintaining microorganisms (7) 7
protein binding (7) 7
protein conformation (7) 7
spirits (7) 7
transferases (7) 7
vinegar (7) 7
wine (7) 7
biochemistry, general (6) 6
biotechnology (6) 6
carbohydrate model compounds (6) 6
chemical properties (6) 6
glycosylation (6) 6
glycosyltransferases - metabolism (6) 6
mechanism (6) 6
molecular-orbital calculation (6) 6
physics, atomic, molecular & chemical (6) 6
proteins (6) 6
qm/mm methods (6) 6
reaction pathways (6) 6
substrate specificity (6) 6
transition-state structures (6) 6
binding (5) 5
biocatalysis (5) 5
crystallography (5) 5
disaccharides (5) 5
disaccharides - chemistry (5) 5
galactose (5) 5
glycosyltransferase (5) 5
n-acetylglucosaminyltransferase-i (5) 5
n-acetylglucosaminyltransferases - metabolism (5) 5
oligosaccharides - chemistry (5) 5
research (5) 5
simulation (5) 5
spectroscopy (5) 5
substrate (5) 5
transition state (5) 5
transition-state (5) 5
water - chemistry (5) 5
algorithms (4) 4
animals (4) 4
approximation (4) 4
aqueous-solution (4) 4
more...
Language Language
Publication Date Publication Date
Click on a bar to filter by decade
Slide to change publication date range


The Journal of Physical Chemistry B, ISSN 1520-6106, 06/2017, Volume 121, Issue 25, pp. 6148 - 6162
The energetic effect of water substitution reactions in hexacoordinated [Mn­(H2O)6–n L z n ]2+n z complexes with L = methanol, formic acid, formamide, formate,... 
DENSITY | MAGNESIUM | ENERGY | MECHANISM | CRYSTAL-STRUCTURE | COMPLEXES | BINDING SITES | CHEMISTRY, PHYSICAL | ADAPTED PERTURBATION-THEORY | (H2O)HCL | EXCHANGE | Chemical properties | Catalysis | Research | Glycosyltransferases | Manganese
Journal Article
Methods in Molecular Biology, ISSN 1064-3745, 2015, Volume 1273, pp. 489 - 499
Hybrid quantum mechanics and molecular mechanics (QM/MM) methods have become a powerful tool to provide an accurate and effective description of complex... 
Potential energy surface | MOZYME | GAMESS | ADF | QM/MM methods | Qsite | Glycosyltransferases | Transition state | Gaussian | Enzymatic reactions | Models, Molecular | Thermodynamics | Glycosyltransferases - metabolism | Quantum Theory | Biocatalysis | Glycosyltransferases - chemistry
Journal Article
Journal of the American Chemical Society, ISSN 0002-7863, 09/2012, Volume 134, Issue 37, pp. 15563 - 15571
In higher eukaryotes, a variety of proteins are post-translationally modified by adding O-linked N-acetylglucosamine (GlcNAc) residue to serine or threonine... 
Models, Molecular | Substrate Specificity | Quantum Theory | Catalysis | N-Acetylglucosaminyltransferases - chemistry | N-Acetylglucosaminyltransferases - metabolism | Measurement | Threonine | Analysis | Glycosyltransferases | Enzyme binding | Chemical properties | Transition state (Chemistry) | Activation energy | Acylation
Journal Article
The Journal of Physical Chemistry B, ISSN 1520-6106, 03/2015, Volume 119, Issue 12, pp. 4371 - 4381
Journal Article
Chemistry – A European Journal, ISSN 0947-6539, 05/2018, Volume 24, Issue 27, pp. 7051 - 7059
Mycobacterium tuberculosis features a unique cell wall that protects the bacterium from the external environment. Disruption of the cell wall assembly is a... 
reaction mechanisms | glycosyltransferases | enzyme catalysis | molecular modeling | tuberculosis
Journal Article
The Journal of Physical Chemistry B, ISSN 1520-6106, 08/2009, Volume 113, Issue 32, pp. 11314 - 11319
Journal Article
Physical Chemistry Chemical Physics, ISSN 1463-9076, 07/2015, Volume 17, Issue 28, pp. 18501 - 18513
Accurate ab initio calculations including basis set limit (BSL) extrapolations, removal of intramolecular basis set superposition error (BSSE), solvent effect... 
PERTURBATION-THEORY | COMPLETE BASIS-SET | PHYSICS, ATOMIC, MOLECULAR & CHEMICAL | GAS-PHASE | CHEMISTRY, PHYSICAL | FORCE-FIELD | CONFORMATIONAL-ANALYSIS | SUPERPOSITION ERROR | O-GLCNAC TRANSFERASE | GAUSSIAN-BASIS SETS | MOLECULAR-ORBITAL CALCULATION | AQUEOUS-SOLUTION
Journal Article
Carbohydrate Research, ISSN 0008-6215, 2010, Volume 345, Issue 4, pp. 530 - 537
Journal Article
Journal of Chemical Theory and Computation, ISSN 1549-9618, 01/2018, Volume 14, Issue 1, pp. 291 - 302
Computational studies of the reaction mechanisms of various enzymes are nowadays based almost exclusively on hybrid QM/MM models. Unfortunately, the success of... 
CATALYSIS | SUBSTRATE | QM/MM METHODS | PHYSICS, ATOMIC, MOLECULAR & CHEMICAL | ATOMIC CHARGES | DYNAMICS | CHEMISTRY, PHYSICAL | REACTION-MECHANISMS | BASIS-SETS | POTENTIALS | GLYCOSYLTRANSFERASES | EFFICIENT | Automation | Glycosyltransferases - metabolism | Quantum Theory | Algorithms | Glycosyltransferases - chemistry | Humans | Static Electricity | Molecular Dynamics Simulation
Journal Article
Chemical Papers, ISSN 0366-6352, 9/2015, Volume 69, Issue 9, pp. 1262 - 1276
Journal Article
Journal of Physical Chemistry B, ISSN 1520-6106, 07/2009, Volume 113, Issue 28, pp. 9589 - 9594
Journal Article
The Journal of Physical Chemistry B, ISSN 1520-6106, 01/2013, Volume 117, Issue 4, pp. 1003 - 1009
Journal Article
Chemical Papers, ISSN 0366-6352, 09/2015, Volume 69, Issue 9, pp. 1262 - 1276
Journal Article
PLoS Computational Biology, ISSN 1553-734X, 04/2015, Volume 11, Issue 4
  The glycosylation of cell surface proteins plays a crucial role in a multitude of biological processes, such as cell adhesion and recognition. To understand... 
Proteins | Studies | Enzymes | Experiments | Cell adhesion & migration
Journal Article
Physical Chemistry Chemical Physics, ISSN 1463-9076, 07/2015, Volume 17, Issue 28, pp. 18501 - 18513
Accurate ab initio calculations including basis set limit (BSL) extrapolations, removal of intramolecular basis set superposition error (BSSE), solvent effect... 
Solvent effect | Extrapolation | Polarization | Energy gap | Physical chemistry | Decomposition | Error correction
Journal Article
ACS nano, ISSN 1936-086X, 2012, Volume 6, Issue 7, pp. 5897 - 5908
Journal Article
No results were found for your search.

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