Journal of chemical information and modeling
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.
Inhaltsverzeichnis
- 1269
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Setting the Record Straight: The Origin of the Pharmacophore ConceptGüner, Osman F. / Bowen, J. Phillip et al. | 2014
- 1284
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Kernel Density Estimation Applied to Bond Length, Bond Angle, and Torsion Angle DistributionsMcCabe, Patrick / Korb, Oliver / Cole, Jason et al. | 2014
- 1289
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Atom Environment Kernels on MoleculesYamashita, Hiroshi / Higuchi, Tomoyuki / Yoshida, Ryo et al. | 2014
- 1301
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Prediction of Compounds in Different Local Structure–Activity Relationship Environments Using Emerging Chemical PatternsNamasivayam, Vigneshwaran / Gupta-Ostermann, Disha / Balfer, Jenny et al. | 2014
- 1311
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Viscosity of tonic Liquids: An Extensive Database and a New Group Contribution Model Based on a Feed-Forward Artificial Neural NetworkPaduszynski, K. / Domanska, U. et al. | 2014
- 1311
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Viscosity of Ionic Liquids: An Extensive Database and a New Group Contribution Model Based on a Feed-Forward Artificial Neural NetworkPaduszyński, Kamil / Domańska, Urszula et al. | 2014
- 1325
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Insight into the Allosteric Inhibition of AbI KinaseFallacara, A.L. / Tintori, C. / Radi, M. et al. | 2014
- 1325
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Insight into the Allosteric Inhibition of Abl KinaseFallacara, Anna Lucia / Tintori, Cristina / Radi, Marco et al. | 2014
- 1339
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The Application of Statistical Methods to Cognate Docking: A Path Forward?Hawkins, Paul C. D. / Kelley, Brian P. / Warren, Gregory L. et al. | 2014
- 1356
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Key Amino Acid Associated with Acephate Detoxification by Cydia pomonella Carboxylesterase Based on Molecular Dynamics with Alanine Scanning and Site-Directed MutagenesisYang, Xue Qing / Liu, Ji Yuan / Li, Xian Chun et al. | 2014
- 1371
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Heteroaromatic π‑Stacking Energy LandscapesHuber, Roland G. / Margreiter, Michael A. / Fuchs, Julian E. et al. | 2014
- 1380
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Molecular Dynamics Simulations Reveal a Novel Mechanism for ATP Inhibition of Insulin Degrading Enzymeda Cruz, Carlos H. B. / Seabra, Gustavo et al. | 2014
- 1391
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Computational Method To Identify Druggable Binding Sites That Target Protein–Protein InteractionsLi, Hubert / Kasam, Vinod / Tautermann, Christofer S. et al. | 2014
- 1401
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Improvement of Virtual Screening Results by Docking Data Feature AnalysisArciniega, Marcelino / Lange, Oliver F. et al. | 2014
- 1412
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Can Molecular Dynamics and QM/MM Solve the Penicillin Binding Protein Protonation Puzzle?Hargis, Jacqueline C. / White, Justin K. / Chen, Yu et al. | 2014
- 1425
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Computational Screening and Selection of Cyclic Peptide Hairpin Mimetics by Molecular Simulation and Kinetic Network ModelsRazavi, Asghar M. / Wuest, William M. / Voelz, Vincent A. et al. | 2014
- 1433
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An Unbiased Method To Build Benchmarking Sets for Ligand-Based Virtual Screening and its Application To GPCRsXia, Jie / Jin, Hongwei / Liu, Zhenming et al. | 2014
- 1451
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Inhibitor Design Strategy Based on an Enzyme Structural Flexibility: A Case of Bacterial MurD LigasePerdih, Andrej / Hrast, Martina / Barreteau, Hélène et al. | 2014
- 1467
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Identification and Validation of Novel PERK InhibitorsWang, Qiantao / Park, Jihyun / Devkota, Ashwini K. et al. | 2014
- 1476
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Computational Analysis of Negative and Positive Allosteric Modulator Binding and Function in Metabotropic Glutamate Receptor 5 (In)ActivationDalton, James A. R. / Gómez-Santacana, Xavier / Llebaria, Amadeu et al. | 2014
- 1488
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Toward an Optimal Docking and Free Energy Calculation Scheme in Ligand Design with Application to COX‑1 InhibitorsShamsudin, Yasmin / Gutiérrez-de-Terán, Hugo / Boukharta, Lars et al. | 2014
- 1500
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Applicability Domain Analysis (ADAN): A Robust Method for Assessing the Reliability of Drug Property PredictionsCarrió, Pau / Pinto, Marta / Ecker, Gerhard et al. | 2014
- 1512
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Prediction of Linear Cationic Antimicrobial Peptides Based on Characteristics Responsible for Their Interaction with the MembranesVishnepolsky, Boris / Pirtskhalava, Malak et al. | 2014
- 1524
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Combination of Genetic Screening and Molecular Dynamics as a Useful Tool for Identification of Disease-Related Mutations: ZASP PDZ Domain G54S Mutation CaseFratev, Filip / Mihaylova, Elina / Pajeva, Ilza et al. | 2014
- 1524
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Combination of Genetic Screening and Molecular Dynamics as a Useful Tool for Identification of Disease-Related Mutations: ZASP PDZ Domain G545 Mutation CaseFratev, F. / Mihaylova, E. / Pajeva, I. et al. | 2014
- 1537
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PyInteraph: A Framework for the Analysis of Interaction Networks in Structural Ensembles of ProteinsTiberti, Matteo / Invernizzi, Gaetano / Lambrughi, Matteo et al. | 2014
- 1552
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OriginPro 9.1: Scientific Data Analysis and Graphing SoftwareSoftware ReviewSeifert, E. et al. | 2014