Computer-Aided Drug Design towards New Psychotropic and Neurological Drugs von Dorahy, Georgia, Chen, Jake Zheng, Balle, Thomas

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Liquid lipases for enzymatic concentration of n-3 polyunsaturated fatty acids in monoacylglycerols via ethanolysis: Catalytic specificity and parameterization von He, Yongjin, Li, Jingbo, Kodali, Sitharam, Balle, Thomas, Chen, Bilian, Guo, Zheng

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CardioTox net: a robust predictor for hERG channel blockade based on deep learning meta-feature ensembles von Karim, Abdul, Lee, Matthew, Balle, Thomas, Sattar, Abdul

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The Anti-Nociceptive Effects of Nicotine in Humans: A Systematic Review and Meta-Analysis von Luo, Yujia, Yang, Yating, Schneider, Carl, Balle, Thomas

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A unified model of the GABA(A) receptor comprising agonist and benzodiazepine binding sites von Bergmann, Rikke, Kongsbak, Kristine, Sørensen, Pernille Louise, Sander, Tommy, Balle, Thomas

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Binding and Dynamics Demonstrate the Destabilization of Ligand Binding for the S688Y Mutation in the NMDA Receptor GluN1 Subunit von Chen, Jake Zheng, Church, William Bret, Bastard, Karine, Duff, Anthony P, Balle, Thomas

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Structure-Based Discovery of Dual-Target Hits for Acetylcholinesterase and the α7 Nicotinic Acetylcholine Receptors: In Silico Studies and In Vitro Confirmation von Oddsson, Sebastian, Kowal, Natalia M, Ahring, Philip K, Olafsdottir, Elin S, Balle, Thomas

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Innate Immunity and Inflammation Post-Stroke: An α7-Nicotinic Agonist Perspective von Neumann, Silke, Shields, Nicholas J, Balle, Thomas, Chebib, Mary, Clarkson, Andrew N

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GABAA receptors as targets for anaesthetics and analgesics and promising candidates to help treat coronavirus infections: A mini‐review von Luo, Yujia, Balle, Thomas

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Molecular recognition of the neurotransmitter acetylcholine by an acetylcholine binding protein reveals determinants of binding to nicotinic acetylcholine receptors von Olsen, Jeppe A, Balle, Thomas, Gajhede, Michael, Ahring, Philip K, Kastrup, Jette S

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Quantitative Toxicity Prediction via Meta Ensembling of Multitask Deep Learning Models von Karim, Abdul, Riahi, Vahid, Mishra, Avinash, Newton, M. A. Hakim, Dehzangi, Abdollah, Balle, Thomas, Sattar, Abdul

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Probing the Role of Backbone Hydrogen Bonds in Protein–Peptide Interactions by Amide-to-Ester Mutations von Eildal, Jonas N. N, Hultqvist, Greta, Balle, Thomas, Stuhr-Hansen, Nicolai, Padrah, Shahrokh, Gianni, Stefano, Strømgaard, Kristian, Jemth, Per

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Ligand Binding at the 4-4 Agonist-Binding Site of the 42 nAChR Triggers Receptor Activation through a Pre-Activated Conformational State von Indurthi, Dinesh C, Lewis, Trevor M, Ahring, Philip K, Balle, Thomas, Chebib, Mary, Absalom, Nathan L

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GABA A receptors as targets for anaesthetics and analgesics and promising candidates to help treat coronavirus infections: A mini‐review von Luo, Yujia, Balle, Thomas

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Crystal structure of Lymnaea stagnalis AChBP complexed with the potent nAChR antagonist DHβE suggests a unique mode of antagonism von Shahsavar, Azadeh, Kastrup, Jette S, Nielsen, Elsebet Ø, Kristensen, Jesper L, Gajhede, Michael, Balle, Thomas

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Novel Approach for the Search for Chemical Scaffolds with Activity at Both Acetylcholinesterase and the α7 Nicotinic Acetylcholine Receptor: A Perspective on Scaffolds with Dual Ac... von Kowal, Natalia, Indurthi, Dinesh, Ahring, Philip, Chebib, Mary, Olafsdottir, Elin, Balle, Thomas

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Open3DQSAR: a new open-source software aimed at high-throughput chemometric analysis of molecular interaction fields von Tosco, Paolo, Balle, Thomas

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A 3D-QSAR-Driven Approach to Binding Mode and Affinity Prediction von Tosco, Paolo, Balle, Thomas

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Open3DALIGN: an open-source software aimed at unsupervised ligand alignment von Tosco, Paolo, Balle, Thomas, Shiri, Fereshteh

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Biosynthesis of pectic oligosaccharide-based amphiphiles as novel stabilizers of nanoemulsions by coupling enzymatic depolymerization with alkyl/alkenyl succinylation von Li, Linlin, Li, Ziqian, Balle, Thomas, Liu, Guoqin, Guo, Zheng

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