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Revista de Urbanismo, ISSN 0717-5051, 12/2019, Issue 41
El edificio en altura implica el retorno a un tipo arquitectónico bajo nuevas formas de construcción, de usos de suelo y de tipo de ocupación, constituyéndose... 
Journal Article
ChemMedChem, ISSN 1860-7179, 01/2016, Volume 11, Issue 1, pp. 22 - 30
Despite the unquestionable success of numerous irreversible drugs that are currently in clinical use, such as acetylsalicylic acid (Aspirin) and penicillin,... 
selectivity | toxicity | efficiency | irreversible inhibition | covalent catalysis | Enzyme inhibitors | Drugs
Journal Article
Chemistry – A European Journal, ISSN 0947-6539, 02/2016, Volume 22, Issue 8, pp. 2758 - 2768
Journal Article
Current Opinion in Pharmacology, ISSN 1471-4892, 10/2019, Volume 48, pp. 17 - 23
The ability of antibiotics to cure bacterial infections is at a serious risk due to the emergence and worldwide spread of superbugs. A lack of innovation and... 
BORONIC ACIDS | CLASS-A | SHIKIMATE KINASE | ANTIBIOTIC-RESISTANCE | COMPETITIVE INHIBITORS | LPXC INHIBITORS | PHARMACOLOGY & PHARMACY | II DEHYDROQUINASE | BETA-LACTAMASE INHIBITOR | IDENTIFICATION | DISCOVERY
Journal Article
Chemistry – A European Journal, ISSN 0947-6539, 12/2016, Volume 22, Issue 50, pp. 17988 - 18000
Shikimate kinase (SK), the fifth enzyme of the aromatic amino acid biosynthesis, is a recognized target for antibiotic drug discovery. The potential of the... 
inhibitors | enzymes | enzyme catalysis | molecular dynamics | antibiotics | MOLECULAR-DYNAMICS | MECHANISM | ANTIBIOTIC-RESISTANCE | SIMULATION | CHEMISTRY, MULTIDISCIPLINARY | DISCOVERY | Molecular dynamics | Physiological aspects | Amino acids | Drug discovery | Catalysis | Enzymes | Inhibitors | Helicobacter pylori | Dynamics | Selectivity | Kinases | Substrates
Journal Article
Current Topics in Medicinal Chemistry, ISSN 1568-0266, 01/2016, Volume 16, Issue 9, pp. 960 - 977
Journal Article
Chemistry – A European Journal, ISSN 0947-6539, 12/2016, Volume 22, Issue 50, p. n/a
Inhibitors Enzymes are “dynamic” systems that are able to adopt diverse conformations during catalysis—an open conformation (OFF) for product release and a... 
inhibitors | enzymes | enzyme catalysis | molecular dynamics | antibiotics | Molecular dynamics | Design engineering | Enzymes | Inhibitors | Dynamics | Bacteria | Selectivity | Kinases | Dynamical systems
Journal Article
Journal Article
Organic & Biomolecular Chemistry, ISSN 1477-0520, 6/2018, Volume 16, Issue 24, pp. 4443 - 4455
Multiscale simulations pinpoint specific interactions responsible for differences in stabilization of key reacting species in two recognized targets for... 
Chemistry
Journal Article
Journal Article
Journal Article
The Journal of Organic Chemistry, ISSN 0022-3263, 11/2018, Volume 83, Issue 21, pp. 13019 - 13029
Latent electrophiles are nowadays very attractive chemical entities for drug discovery, as they are unreactive unless activated upon binding with the specific... 
TRIFLUOROMETHYL-SUBSTITUTED PHENOLS | MOLECULAR-DYNAMICS | PHOTOCHEMICAL REACTIVITY | COVALENT INHIBITORS | STRUCTURAL BASIS | HUMAN SERUM-ALBUMIN | DRUG DISCOVERY | CHEMISTRY, ORGANIC | FORCE-FIELD | PROTEINS | SELECTIVITY
Journal Article