Ligand-Based Approaches to In Silico Pharmacology von Vidal, David, Garcia-Serna, Ricard, Mestres, Jordi

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De Novo Drug Design von Hartenfeller, Markus, Schneider, Gisbert

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The Ups and Downs of Structure–Activity Landscapes von Guha, Rajarshi

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The Scaffold Tree: An Efficient Navigation in the Scaffold Universe von Ertl, Peter, Schuffenhauer, Ansgar, Renner, Steffen

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Pharmacophore-Based Virtual Screening von Horvath, Dragos

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Computational Systems Chemical Biology von Oprea, Tudor I., May, Elebeoba E., Leitão, Andrei, Tropsha, Alexander

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Predicting the Performance of Fingerprint Similarity Searching von Vogt, Martin, Bajorath, Jürgen

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Classification of Chemical Reactions and Chemoinformatic Processing of Enzymatic Transformations von Latino, Diogo A. R. S., Aires-de-Sousa, João

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What Do We Know?: Simple Statistical Techniques that Help von Nicholls, Anthony

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Molecular Test Systems for Computational Selectivity Studies and Systematic Analysis of Compound Selectivity Profiles von Stumpfe, Dagmar, Lounkine, Eugen, Bajorath, Jürgen

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Informatics Approach to the Rational Design of siRNA Libraries von Ebalunode, Jerry O., Jagun, Charles, Zheng, Weifan

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Reduced Graphs and Their Applications in Chemoinformatics von Birchall, Kristian, Gillet, Valerie J.

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In Silico Structure-Based Approach for Group Efficiency Estimation in Fragment-Based Drug Design Using Evaluation of Fragment Contributions von Shulga, Dmitry A, Ivanov, Nikita N, Palyulin, Vladimir A

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Control of chirality, bond flexing and anharmonicity in an electric field von Li, Zi, Nie, Xing, Xu, Tianlv, Li, Shuman, Yang, Yong, Früchtl, Herbert, Mourik, Tanja, Kirk, Steven R., Paterson, Martin J., Shigeta, Yasuteru, Jenkins, Samantha

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Weighted-persistent-homology-based machine learning for RNA flexibility analysis von Pun, Chi Seng, Yong, Brandon Yung Sin, Xia, Kelin

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Identifying Activity Cliff Generators of PPAR Ligands Using SAS Maps von Méndez-Lucio, Oscar, Pérez-Villanueva, Jaime, Castillo, Rafael, Medina-Franco, José L.

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Towards an Enrichment Optimization Algorithm (EOA)‐based Target Specific Docking Functions for Virtual Screening von Spiegel, Jacob, Senderowitz, Hanoch

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Rényi’s divergence as a chemical similarity criterion von Flores-Gallegos, N.

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Activity Landscapes, Information Theory, and Structure - Activity Relationships von Iyer, Preeti, Stumpfe, Dagmar, Vogt, Martin, Bajorath, J., Maggiora, G. M.

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Benserazide Perturbs Kif15‐kinesin Binding Protein Interaction with Prolonged Metaphase and Defects in Chromosomal Congression: A Study Based on in silico Modeling and Cell Culture... von Sebastian, Jomon, Rathinasamy, Krishnan

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