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Collaborating to improve the use of free-energy and other quantitative methods in drug discovery.

B. Sherborne, V. Shanmugasundaram, A. Cheng, C. Christ, R. DesJarlais, J. Duca, R. Lewis, D. Loughney, E. Manas, G. McGaughey, C. Peishoff, and H. van Vlijmen. Journal of Computer-Aided Molecular Design, 30 (12): 1139-1141 (2016)

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To differ between persons with the same name, the academic degree and the title of an important publication will be displayed. You can also use the button next to the name to display some publications already assigned to the person.

Univ. -Prof. Dr. Joris van Slageren University of Stuttgart

Electrocatalytic proton reduction: Metal based fused diporphyrins with proton relays for efficient catalysisA. Singha Hazari, S. Chandra, Q. Song, D. Hunger, N. Neuman, J. Slageren, E. Klemm, B. Sarkar, and S. Kar. Dataset, (2024)Related to: Chandra, S., Singha Hazari, A., Song, Q., Hunger, D., Neuman, N. I., van Slageren, J., Klemm, E. & Sarkar, B. (2023). Remarkable Enhancement of Catalytic Activity of Cu-Complexes in the Electrochemical Hydrogen Evolution Reaction by Using Triply Fused Porphyrin. ChemSusChem 16, e202201146. doi: 10.1002/cssc.202201146.

Nina van den Daele University of Stuttgart

Dr. phil. Leo van Waveren University of Stuttgart

Dr. Thijs van Westen University of Stuttgart

Jan Vanvinkenroye University of Stuttgart

Other publications of authors with the same name

Cheminformatics.J. Wegner, A. Sterling, R. Guha, A. Bender, J. Faulon, J. Hastings, N. O'Boyle, J. Overington, H. van Vlijmen, and E. Willighagen. Commun. ACM, 55 (11): 65-75 (2012)QQ-SNV: single nucleotide variant detection at low frequency by comparing the quality quantiles.K. der Borght, K. Thys, Y. Wetzels, L. Clement, B. Verbist, J. Reumers, H. van Vlijmen, and J. Aerssens. BMC Bioinformatics, (2015)3D QSAR (COMFA) of a series of potent and highly selective VLA-4 antagonists.J. Singh, H. van Vlijmen, W. Lee, Y. Liao, K. Lin, H. Ateeq, J. Cuervo, C. Zimmerman, C. Hammond, M. Karpusas and 3 other author(s). Journal of Computer-Aided Molecular Design, 16 (3): 201-211 (2002)Collaborating to improve the use of free-energy and other quantitative methods in drug discovery.B. Sherborne, V. Shanmugasundaram, A. Cheng, C. Christ, R. DesJarlais, J. Duca, R. Lewis, D. Loughney, E. Manas, G. McGaughey and 2 other author(s). Journal of Computer-Aided Molecular Design, 30 (12): 1139-1141 (2016)Multi-model inference using mixed effects from a linear regression based genetic algorithm.K. der Borght, G. Verbeke, and H. van Vlijmen. BMC Bioinformatics, (2014)Cross-validated stepwise regression for identification of novel non-nucleoside reverse transcriptase inhibitor resistance associated mutations.K. der Borght, E. Craenenbroeck, P. Lecocq, M. Houtte, B. Kerckhove, L. Bacheler, G. Verbeke, and H. van Vlijmen. BMC Bioinformatics, (2011)Interacting with GPCRs: Using Interaction Fingerprints for Virtual Screening.E. Lenselink, W. Jespers, H. van Vlijmen, A. IJzerman, and G. van Westen. Journal of Chemical Information and Modeling, 56 (10): 2053-2060 (2016)A molecular graphics study exploring a putative ligand binding site of theβ-adrenoceptor.A. IJzerman, and H. van Vlijmen. Journal of Computer-Aided Molecular Design, 2 (1): 43-53 (1988)Benchmarking of protein descriptor sets in proteochemometric modeling (part 1): comparative study of 13 amino acid descriptor sets.G. van Westen, R. Swier, J. Wegner, A. IJzerman, H. van Vlijmen, and A. Bender. J. Cheminformatics, (2013)An exploration strategy improves the diversity of de novo ligands using deep reinforcement learning: a case for the adenosine A2A receptor.X. Liu, K. Ye, H. van Vlijmen, A. IJzerman, and G. van Westen. J. Cheminformatics, 11 (1): 35:1-35:16 (2019)