Modeling Drug-Induced Anorexia by Molecular Topology (Englisch)
- Neue Suche nach: Galvez-Llompart, M.
- Neue Suche nach: Galvez, J.
- Neue Suche nach: Garcia-Domenech, R.
- Neue Suche nach: Kier, L.B.
- Neue Suche nach: Galvez-Llompart, M.
- Neue Suche nach: Galvez, J.
- Neue Suche nach: Garcia-Domenech, R.
- Neue Suche nach: Kier, L.B.
In:
JOURNAL OF CHEMICAL INFORMATION AND MODELING
;
52
, 5
;
1337-1344
;
2012
-
ISSN:
- Aufsatz (Zeitschrift) / Print
-
Titel:Modeling Drug-Induced Anorexia by Molecular Topology
-
Beteiligte:Galvez-Llompart, M. ( Autor:in ) / Galvez, J. ( Autor:in ) / Garcia-Domenech, R. ( Autor:in ) / Kier, L.B. ( Autor:in )
-
Erschienen in:JOURNAL OF CHEMICAL INFORMATION AND MODELING ; 52, 5 ; 1337-1344
-
Verlag:
- Neue Suche nach: AMERICAN CHEMICAL SOCIETY
-
Erscheinungsdatum:01.01.2012
-
Format / Umfang:8 pages
-
ISSN:
-
Medientyp:Aufsatz (Zeitschrift)
-
Format:Print
-
Sprache:Englisch
- Neue Suche nach: 542.85
- Weitere Informationen zu Dewey Decimal Classification
-
Klassifikation:
DDC: 542.85 -
Datenquelle:
© Metadata Copyright the British Library Board and other contributors. All rights reserved.
Inhaltsverzeichnis – Band 52, Ausgabe 5
Zeige alle Jahrgänge und Ausgaben
Die Inhaltsverzeichnisse werden automatisch erzeugt und basieren auf den im Index des TIB-Portals verfügbaren Einzelnachweisen der enthaltenen Beiträge. Die Anzeige der Inhaltsverzeichnisse kann daher unvollständig oder lückenhaft sein.
- 1079
-
Combining Dyad Protonation and Active Site Plasticity in BACE-1 Structure-Based Drug DesignKacker, Puneet / Masetti, Matteo / Mangold, Martina / Bottegoni, Giovanni / Cavalli, Andrea et al. | 2012
- 1086
-
Using Novel Descriptor Accounting for Ligand–Receptor Interactions To Define and Visually Explore Biologically Relevant Chemical SpaceRabal, Obdulia / Oyarzabal, Julen et al. | 2012
- 1103
-
Performance Evaluation of 2D Fingerprint and 3D Shape Similarity Methods in Virtual ScreeningHu, Guoping / Kuang, Guanglin / Xiao, Wen / Li, Weihua / Liu, Guixia / Tang, Yun et al. | 2012
- 1114
-
Exploring Aromatic Chemical Space with NEAT: Novel and Electronically Equivalent Aromatic TemplateTu, Meihua / Rai, Brajesh K. / Mathiowetz, Alan M. / Didiuk, Mary / Pfefferkorn, Jeffrey A. / Guzman-Perez, Angel / Benbow, John / Guimarães, Cristiano R. W. / Mente, Scot / Hayward, Matthew M. et al. | 2012
- 1124
-
New Benchmark for Chemical Nomenclature SoftwareCannon, Edward O. et al. | 2012
- 1132
-
ADMET Evaluation in Drug Discovery. 11. PharmacoKinetics Knowledge Base (PKKB): A Comprehensive Database of Pharmacokinetic and Toxic Properties for DrugsCao, Dongyue / Wang, Junmei / Zhou, Rui / Li, Youyong / Yu, Huidong / Hou, Tingjun et al. | 2012
- 1138
-
MMP-Cliffs: Systematic Identification of Activity Cliffs on the Basis of Matched Molecular PairsHu, Xiaoying / Hu, Ye / Vogt, Martin / Stumpfe, Dagmar / Bajorath, Jürgen et al. | 2012
- 1146
-
Freely Available Conformer Generation Methods: How Good Are They?Ebejer, Jean-Paul / Morris, Garrett M. / Deane, Charlotte M. et al. | 2012
- 1159
-
Computation of Induced Dipoles in Molecular Mechanics Simulations Using Graphics ProcessorsPratas, Frederico / Sousa, Leonel / Dieterich, Johannes M. / Mata, Ricardo A. et al. | 2012
- 1167
-
Probing the Bioactivity-Relevant Chemical Space of Robust Reactions and Common Molecular Building BlocksHartenfeller, Markus / Eberle, Martin / Meier, Peter / Nieto-Oberhuber, Cristina / Altmann, Karl-Heinz / Schneider, Gisbert / Jacoby, Edgar / Renner, Steffen et al. | 2012
- 1179
-
Molecular Dynamics Studies of the STAT3 Homodimer:DNA Complex: Relationships between STAT3 Mutations and Protein–DNA RecognitionHusby, Jarmila / Todd, Alan K. / Haider, Shozeb M. / Zinzalla, Giovanna / Thurston, David E. / Neidle, Stephen et al. | 2012
- 1193
-
Electron Density Distribution in Endohedral Complexes of Fullerene C60, Calculated Based on the Gauss LawSadlej-Sosnowska, Nina / Mazurek, Aleksander P. et al. | 2012
- 1199
-
Develop and Test a Solvent Accessible Surface Area-Based Model in Conformational Entropy CalculationsWang, Junmei / Hou, Tingjun et al. | 2012
- 1213
-
Influence of Protonation on Substrate and Inhibitor Interactions at the Active Site of Human Monoamine Oxidase-AZapata-Torres, Gerald / Fierro, Angelica / Miranda-Rojas, Sebastian / Guajardo, Carlos / Saez-Briones, Patricio / Salgado, J. Cristian / Celis-Barros, Cristian et al. | 2012
- 1222
-
Development of Ecom50 and Retention Index Models for Nontargeted Metabolomics: Identification of 1,3-Dicyclohexylurea in Human Serum by HPLC/Mass SpectrometryHall, L. Mark / Hall, Lowell H. / Kertesz, Tzipporah M. / Hill, Dennis W. / Sharp, Thomas R. / Oblak, Edward Z. / Dong, Ying W. / Wishart, David S. / Chen, Ming-Hui / Grant, David F. et al. | 2012
- 1238
-
Assessing Relative Bioactivity of Chemical Substances Using Quantitative Molecular Network Topology AnalysisEdberg, Anna / Soeria-Atmadja, Daniel / Bergman Laurila, Jonas / Johansson, Fredrik / Gustafsson, Mats G. / Hammerling, Ulf et al. | 2012
- 1250
-
In Silico Mutagenesis and Docking Study of Ralstonia solanacearum RSL Lectin: Performance of Docking Software To Predict Saccharide BindingMishra, Sushil Kumar / Adam, Jan / Wimmerová, Michaela / Koča, Jaroslav et al. | 2012
- 1262
-
Potential and Limitations of Ensemble DockingKorb, Oliver / Olsson, Tjelvar S. G. / Bowden, Simon J. / Hall, Richard J. / Verdonk, Marcel L. / Liebeschuetz, John W. / Cole, Jason C. et al. | 2012
- 1275
-
Protonation States of the Catalytic Dyad of beta -Secretase (BACE1) in the Presence of Chemically Diverse Inhibitors: A Molecular Docking StudyBarman, A. / Prabhakar, R. et al. | 2012
- 1275
-
Protonation States of the Catalytic Dyad of β-Secretase (BACE1) in the Presence of Chemically Diverse Inhibitors: A Molecular Docking StudyBarman, Arghya / Prabhakar, Rajeev et al. | 2012
- 1288
-
Unlocking the Binding and Reaction Mechanism of Hydroxyurea Substrates as Biological Nitric Oxide DonorsVankayala, Sai Lakshmana / Hargis, Jacqueline C. / Woodcock, H. Lee et al. | 2012
- 1298
-
Modeling the Interface between Islet Amyloid Polypeptide and Insulin-Based Aggregation Inhibitors: Correlation to Aggregation Kinetics and Membrane DamageFigueroa, Hector / Peddi, Durgaprasad / Osborne, Joshua M. / Wilson, Brenan M. / Pesaru, Ranadheer Reddy / Kurva, Balakrishna / Ramaraju, Swathi / Milletti, Maria C. / Heyl, Deborah L. et al. | 2012
- 1308
-
Elements of Nucleotide Specificity in the Trypanosoma brucei Mitochondrial RNA Editing Enzyme RET2Demir, Özlem / Amaro, Rommie E. et al. | 2012
- 1319
-
Molecular Docking Using the Molecular Lipophilicity Potential as Hydrophobic Descriptor: Impact on GOLD Docking PerformanceNurisso, Alessandra / Bravo, Juan / Carrupt, Pierre-Alain / Daina, Antoine et al. | 2012
- 1328
-
Building a Three-Dimensional Model of CYP2C9 Inhibition Using the Autocorrelator: An Autonomous Model GeneratorLardy, Matthew A. / LeBrun, Laurie / Bullard, Drew / Kissinger, Charles / Gobbi, Alberto et al. | 2012
- 1337
-
Modeling Drug-Induced Anorexia by Molecular TopologyGálvez-Llompart, María / Gálvez, Jorge / García-Domenech, Ramón / Kier, Lemont B. et al. | 2012
- 1345
-
Novel Inhibitor Discovery through Virtual Screening against Multiple Protein Conformations Generated via Ligand-Directed Modeling: A Maternal Embryonic Leucine Zipper Kinase ExampleMahasenan, Kiran V. / Li, Chenglong et al. | 2012
- 1356
-
On the Value of Homology Models for Virtual Screening: Discovering hCXCR3 Antagonists by Pharmacophore-Based and Structure-Based ApproachesHuang, Dane / Gu, Qiong / Ge, Hu, / Ye, Jiming / Salam, Noeris K. / Hagler, Arnie / Chen, Hongzhuan / Xu, Jun et al. | 2012
- 1367
-
Validation of the AmpC beta -Lactamase Binding Site and Identification of Inhibitors with Novel ScaffoldsChan, F.-Y. / Neves, M.A.C. / Sun, N. / Tsang, M.-W. / Leung, Y.-C. / Chan, T.-H. / Abagyan, R. / Wong, K.-Y. et al. | 2012
- 1367
-
Validation of the AmpC β-Lactamase Binding Site and Identification of Inhibitors with Novel ScaffoldsChan, Fung-Yi / Neves, Marco A. C. / Sun, Ning / Tsang, Man-Wah / Leung, Yun-Chung / Chan, Tak-Hang / Abagyan, Ruben / Wong, Kwok-Yin et al. | 2012
- 1376
-
Toward the Identification of a Reliable 3D QSAR Pharmacophore Model for the CCK2 Receptor AntagonismGupta, Amit K. / Varshney, Kanika / Saxena, Anil K. et al. | 2012
- 1391
-
Identification of Novel Liver X Receptor Activators by Structure-Based Modelingvon Grafenstein, Susanne / Mihaly-Bison, Judit / Wolber, Gerhard / Bochkov, Valery N. / Liedl, Klaus R. / Schuster, Daniela et al. | 2012
- 1401
-
Matching Cavities in G Protein-Coupled Receptors to Infer Ligand-Binding SitesMadala, Praveen K. / Fairlie, David P. / Bodén, Mikael et al. | 2012
- 1411
-
Improved Machine Learning Models for Predicting Selective CompoundsNing, Xia / Walters, Michael / Karypis, George et al. | 2012