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	1221.	A large-scale test of free-energy simulation estimates of protein-ligand binding affinities. [electronic resource] by Mikulskis, Paulius Genheden, Samuel Ryde, Ulf Producer: 20150626 In: Journal of chemical information and modeling vol. 54 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	1222.	Importance of the pharmacological profile of the bound ligand in enrichment on nuclear receptors: toward the use of experimentally validated decoy ligands. [electronic resource] by Lagarde, Nathalie Zagury, Jean-François Montes, Matthieu Producer: 20150626 In: Journal of chemical information and modeling vol. 54 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	1223.	Identification of novel Plasmodium falciparum PI4KB inhibitors as potential anti-malarial drugs: Homology modeling, molecular docking and molecular dynamics simulations. [electronic resource] by Ibrahim, Mahmoud A A Abdelrahman, Alaa H M Hassan, Alaa M A Producer: 20190729 In: Computational biology and chemistry vol. 80 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	1224.	Predicting drug-target interaction network using deep learning model. [electronic resource] by You, Jiaying McLeod, Robert D Hu, Pingzhao Producer: 20190729 In: Computational biology and chemistry vol. 80 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	1225.	Identifying novel adenosine receptor ligands by simultaneous proteochemometric modeling of rat and human bioactivity data. [electronic resource] by van Westen, Gerard J P van den Hoven, Olaf O van der Pijl, Rianne Mulder-Krieger, Thea de Vries, Henk Wegner, Jörg K Ijzerman, Adriaan P van Vlijmen, Herman W T Bender, Andreas Producer: 20121126 In: Journal of medicinal chemistry vol. 55 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	1226.	Benchmarking ligand-based virtual High-Throughput Screening with the PubChem database. [electronic resource] by Butkiewicz, Mariusz Lowe, Edward W Mueller, Ralf Mendenhall, Jeffrey L Teixeira, Pedro L Weaver, C David Meiler, Jens Producer: 20130617 In: Molecules (Basel, Switzerland) vol. 18 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	1227.	Discovery of novel insomnia leads from screening traditional Chinese medicine database. [electronic resource] by Chen, Hsin-Yi Chang, Su-sen Chan, Yueh-Chiu Chen, Calvin Yu-Chian Producer: 20141124 In: Journal of biomolecular structure & dynamics vol. 32 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	1228.	Improved pose and affinity predictions using different protocols tailored on the basis of data availability. [electronic resource] by Prathipati, Philip Nagao, Chioko Ahmad, Shandar Mizuguchi, Kenji Producer: 20170927 In: Journal of computer-aided molecular design vol. 30 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	1229.	Novel phenolic inhibitors of the sarco/endoplasmic reticulum calcium ATPase: identification and characterization by quantitative structure-activity relationship modeling and virtual screening. [electronic resource] by Paula, Stefan Hofmann, Emily Burden, John Stanton, David T Producer: 20150915 In: Journal of enzyme inhibition and medicinal chemistry vol. 30 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	1230.	Multi-Layer Identification of Highly-Potent ABCA1 Up-Regulators Targeting LXRβ Using Multiple QSAR Modeling, Structural Similarity Analysis, and Molecular Docking. [electronic resource] by Chen, Meimei Yang, Fafu Kang, Jie Yang, Xuemei Lai, Xinmei Gao, Yuxing Producer: 20170428 In: Molecules (Basel, Switzerland) vol. 21 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	1231.	Investigation of non-hydroxamate scaffolds against HDAC6 inhibition: A pharmacophore modeling, molecular docking, and molecular dynamics simulation approach. [electronic resource] by Zeb, Amir Park, Chanin Son, Minky Rampogu, Shailima Alam, Syed Ibrar Park, Seok Ju Lee, Keun Woo Producer: 20190731 In: Journal of bioinformatics and computational biology vol. 16 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	1232.	PULDB: the expanded database of Polysaccharide Utilization Loci. [electronic resource] by Terrapon, Nicolas Lombard, Vincent Drula, Élodie Lapébie, Pascal Al-Masaudi, Saad Gilbert, Harry J Henrissat, Bernard Producer: 20190807 In: Nucleic acids research vol. 46 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	1233.	SwissTargetPrediction: updated data and new features for efficient prediction of protein targets of small molecules. [electronic resource] by Daina, Antoine Michielin, Olivier Zoete, Vincent Producer: 20200512 In: Nucleic acids research vol. 47 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	1234.	Discovery of Novel Potent Reversible and Irreversible Myeloperoxidase Inhibitors Using Virtual Screening Procedure. [electronic resource] by Soubhye, Jalal Chikh Alard, Ibaa Aldib, Iyas Prévost, Martine Gelbcke, Michel De Carvalho, Annelise Furtmüller, Paul G Obinger, Christian Flemmig, Jörg Tadrent, Sara Meyer, Franck Rousseau, Alexandre Nève, Jean Mathieu, Véronique Zouaoui Boudjeltia, Karim Dufrasne, François Van Antwerpen, Pierre Producer: 20170905 In: Journal of medicinal chemistry vol. 60 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	1235.	Toll-like receptor 7 agonists: chemical feature based pharmacophore identification and molecular docking studies. [electronic resource] by Yu, Hui Jin, Hongwei Sun, Lidan Zhang, Liangren Sun, Gang Wang, Zhanli Yu, Yongchun Producer: 20130920 In: PloS one vol. 8 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	1236.	[Selection of a melanine concentrating hormone receptor-1 (MCHR1) antagonists' focused library and its biological screening with AequoScreen]. [electronic resource] by Flachner, Beáta Hajdú, István Dobi, Krisztina Lorincz, Zsolt Cseh, Sándor Dormán, György Producer: 20140123 In: Acta pharmaceutica Hungarica vol. 83 Availability: No items available. Save to lists Add to cart (remove)
	1237.	Automated extraction of information on chemical-P-glycoprotein interactions from the literature. [electronic resource] by Yoshida, Shuya Yamashita, Fumiyoshi Ose, Atsushi Maeda, Kazuya Sugiyama, Yuichi Hashida, Mitsuru Producer: 20140606 In: Journal of chemical information and modeling vol. 53 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	1238.	Metabolomic Profiling of the Malaria Box Reveals Antimalarial Target Pathways. [electronic resource] by Allman, Erik L Painter, Heather J Samra, Jasmeet Carrasquilla, Manuela Llinás, Manuel Producer: 20170818 In: Antimicrobial agents and chemotherapy vol. 60 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	1239.	Identification of novel MRP3 inhibitors based on computational models and validation using an in vitro membrane vesicle assay. [electronic resource] by Ali, Izna Welch, Matthew A Lu, Yang Swaan, Peter W Brouwer, Kim L R Producer: 20171229 In: European journal of pharmaceutical sciences : official journal of the European Federation for Pharmaceutical Sciences vol. 103 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	1240.	Investigation of novel chemical scaffolds targeting prolyl oligopeptidase for neurological therapeutics. [electronic resource] by Kumar, Raj Parameswaran, Saravanan Bavi, Rohit Baek, Ayoung Son, Minky Rampogu, Shailima Park, Chanin Lee, Gihwan Zeb, Amir Parate, Shraddha Rana, Rabia Mukhtar Lee, Keun Woo Producer: 20200406 In: Journal of molecular graphics & modelling vol. 88 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)

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