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A Small Molecule Targeting the Multifactorial Nature of Alzheimer's Disease.
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- Angewandte Chemie International Edition, 2007, v. 46, n. 20, p. 3689, doi. 10.1002/anie.200700256
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- Article
Sequential Virtual Screening Approach to the Identification of Small Organic Molecules as Potential BACE-1 Inhibitors.
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- Chemical Biology & Drug Design, 2011, v. 77, n. 4, p. 268, doi. 10.1111/j.1747-0285.2011.01087.x
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- Article
Synthesis and Quantitative Structure-Activity Relationships of Analeptic Agents Related to Dimefline.
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- Archiv der Pharmazie, 1989, v. 322, n. 5, p. 257, doi. 10.1002/ardp.19893220504
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- Article
Xanthone Analogue of Geiparvarin.
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- Archiv der Pharmazie, 1985, v. 318, n. 10, p. 923, doi. 10.1002/ardp.19853181012
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- Article
Halogenated Dimefline-type Derivatives.
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- Archiv der Pharmazie, 1983, v. 316, n. 5, p. 421, doi. 10.1002/ardp.19833160507
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- Article
Some Basic Derivatives of Pummerer's Ketone.
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- Archiv der Pharmazie, 1981, v. 314, n. 9, p. 740, doi. 10.1002/ardp.19813140903
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- Article
QT prolongation through hERG K<sup>+</sup> channel blockade: Current knowledge and strategies for the early prediction during drug development.
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- Medicinal Research Reviews, 2005, v. 25, n. 2, p. 133, doi. 10.1002/med.20019
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- Article
Nonsteroidal aromatase inhibitors: Recent advances.
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- Medicinal Research Reviews, 2002, v. 22, n. 3, p. 282, doi. 10.1002/med.10010
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- Article
Targeting the Protein Tunnels of the Urease Accessory Complex: A Theoretical Investigation.
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- Molecules, 2020, v. 25, n. 12, p. 2911, doi. 10.3390/molecules25122911
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- Article
Dynamic Docking: A Paradigm Shift in Computational Drug Discovery.
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- Molecules, 2017, v. 22, n. 11, p. 2029, doi. 10.3390/molecules22112029
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- Article
Computational investigation of the binding mode of bis(hydroxylphenyl)arenes in 17β-HSD1: molecular dynamics simulations, MM-PBSA free energy calculations, and molecular electrostatic potential maps.
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- Journal of Computer-Aided Molecular Design, 2011, v. 25, n. 9, p. 795, doi. 10.1007/s10822-011-9464-7
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- Article
The Self-Assembly of a Lipophilic Deoxyguanosine Derivative and the Formation of a Liquid-Crystalline Phase in Hydrocarbon Solvents.
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- Helvetica Chimica Acta, 1998, v. 81, n. 11, p. 2078, doi. 10.1002/(SICI)1522-2675(19981111)81:11<2078::AID-HLCA2078>3.0.CO;2-7
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- Publication type:
- Article
Comparative molecular field analysis (CoMFA) of a series of selective adenosine receptor A<sub>2A</sub> antagonists.
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- Drug Development Research, 1999, v. 46, n. 2, p. 126, doi. 10.1002/(SICI)1098-2299(199902)46:2<126::AID-DDR5>3.0.CO;2-7
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- Article
S4-04-04: Memoquin, a novel multifunctional compound for Alzheimer’s disease: An up-date on preclinical studies
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- 2006
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- Publication type:
- Abstract
S4-04-04: Memoquin, a novel multifunctional compound for Alzheimer’s disease: An up-date on preclinical studies
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- 2006
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- Publication type:
- Abstract
Protein Dynamics of the HIF-2α PAS-B Domain upon Heterodimerization and Ligand Binding.
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- PLoS ONE, 2014, v. 9, n. 4, p. 1, doi. 10.1371/journal.pone.0094986
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- Article
A Natural-Like Synthetic Small Molecule Impairs Bcr-Abl Signaling Cascades and Induces Megakaryocyte Differentiation in Erythroleukemia Cells.
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- PLoS ONE, 2013, v. 8, n. 2, p. 1, doi. 10.1371/journal.pone.0057650
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- Article
Ion Conduction through the hERG Potassium Channel.
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- PLoS ONE, 2012, v. 7, n. 11, p. 1, doi. 10.1371/journal.pone.0049017
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- Article
Substrate Binding Process and Mechanistic Functioning of Type 1 11β-Hydroxysteroid Dehydrogenase from Enhanced Sampling Methods.
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- PLoS ONE, 2011, v. 6, n. 9, p. 1, doi. 10.1371/journal.pone.0025375
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- Article
Insights in 17β-HSD1 Enzyme Kinetics and Ligand Binding by Dynamic Motion Investigation.
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- PLoS ONE, 2010, v. 5, n. 8, p. 1, doi. 10.1371/journal.pone.0012026
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- Article
Development of a multisite model for Ni(II) ion in solution from thermodynamic and kinetic data.
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- Journal of Computational Chemistry, 2017, v. 38, n. 21, p. 1834, doi. 10.1002/jcc.24827
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- Article
Predicting Reactivity and Stereoselectivity in the Nazarov Reaction: A Combined Computational and Experimental Study.
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- Chemistry - A European Journal, 2008, v. 14, n. 30, p. 9292, doi. 10.1002/chem.200801030
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- Article
Computational Study of the Phosphoryl Transfer Catalyzed by a Cyclin-Dependent Kinase.
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- Chemistry - A European Journal, 2007, v. 13, n. 30, p. 8437, doi. 10.1002/chem.200700044
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- Article
Density Functional Studies on the Nazarov Reaction Involving Cyclic Systems.
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- Chemistry - A European Journal, 2006, v. 12, n. 10, p. 2836, doi. 10.1002/chem.200501391
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- Article
Protein Flexibility in Drug Discovery: From Theory to Computation.
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- ChemMedChem, 2015, v. 10, n. 7, p. 1141, doi. 10.1002/cmdc.201500086
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- Article
Galloflavin (CAS 568-80-9): A Novel Inhibitor of Lactate Dehydrogenase.
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- ChemMedChem, 2012, v. 7, n. 2, p. 311, doi. 10.1002/cmdc.201100471
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- Publication type:
- Article
Structure-Activity Relationships and Binding Mode in the Human Acetylcholinesterase Active Site of Pseudo-Irreversible Inhibitors Related to Xanthostigmine.
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- ChemMedChem, 2009, v. 4, n. 4, p. 670, doi. 10.1002/cmdc.200800396
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- Article
Modeling hERG and its Interactions with Drugs: Recent Advances in Light of Current Potassium Channel Simulations.
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- ChemMedChem, 2008, v. 3, n. 4, p. 523, doi. 10.1002/cmdc.200700264
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- Article
Antiproliferative Agents That Interfere with the Cell Cycle at the G<sub>1</sub>→S Transition: Further Development and Characterization of a Small Library of Stilbene-Derived Compounds.
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- ChemMedChem, 2008, v. 3, n. 2, p. 345, doi. 10.1002/cmdc.200700258
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- Article
Alpha7 nicotinic acetylcholine receptor agonists: Prediction of their binding affinity through a molecular mechanics Poisson–Boltzmann surface area approach.
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- Journal of Computational Chemistry, 2008, v. 29, n. 15, p. 2593, doi. 10.1002/jcc.21019
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- Article
Modeling the hERG potassium channel in a phospholipid bilayer: Molecular dynamics and drug docking studies.
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- Journal of Computational Chemistry, 2008, v. 29, n. 5, p. 795, doi. 10.1002/jcc.20842
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- Article
Mechanistic insights into Pin1 peptidyl-prolyl cis-trans isomerization from umbrella sampling simulations.
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- Proteins, 2014, v. 82, n. 11, p. 2943, doi. 10.1002/prot.24650
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- Article
The role of Li<sup>+</sup>, Na<sup>+</sup>, and K<sup>+</sup> in the ligand binding inside the human acetylcholinesterase gorge.
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- Proteins, 2008, v. 70, n. 3, p. 779, doi. 10.1002/prot.21560
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- Article
Three-dimensional model of the human aromatase enzyme and density functional parameterization of the iron-containing protoporphyrin IX for a molecular dynamics study of heme-cysteinato cytochromes.
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- Proteins, 2006, v. 62, n. 4, p. 1074, doi. 10.1002/prot.20829
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- Article
Role of phosphorylated Thr160 for the activation of the CDK2/Cyclin A complex.
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- Proteins, 2006, v. 62, n. 1, p. 89, doi. 10.1002/prot.20697
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- Article
Mapping Cholesterol Interaction Sites on Serotonin Transporter through Coarse-Grained Molecular Dynamics.
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- PLoS ONE, 2016, v. 11, n. 12, p. 1, doi. 10.1371/journal.pone.0166196
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- Article
Three-dimensional model of the cyclin-dependent kinase 1 (CDK1): Ab initio active site parameters for molecular dynamics studies of CDKS.
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- Proteins, 2001, v. 45, n. 4, p. 478, doi. 10.1002/prot.10013
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- Article
Computational drug discovery under RNA times.
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- QRB Discovery, 2022, v. 3, p. 1, doi. 10.1017/qrd.2022.20
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- Article
Network modeling helps to tackle the complexity of drug–disease systems.
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- WIREs: Mechanisms of Disease, 2023, v. 15, n. 4, p. 1, doi. 10.1002/wsbm.1607
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- Article