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ACS Chemical Biology|October 14, 2011
Quantitative assessment of protein interaction with methyl-lysine analogues by hybrid computational and experimental approachesDaniel Seeliger, Szabolcs Soeroes, Rebecca Klingberg, et al.ACS Medicinal Chemistry Letters|March 21, 2019
Enhancing Drug Residence Time by Shielding of Intra-Protein Hydrogen Bonds: A Case Study on CCR2 AntagonistsAniket Magarkar, Gisela Schnapp, Anna-Katharina Apel, et al.Biophysical Journal|September 23, 2016
Voltage Dependence of Conformational Dynamics and Subconducting States of VDAC-1Rodolfo Briones, Conrad Weichbrodt, Licia Paltrinieri, et al.Chemmedchem|April 5, 2012
Identification of selective inhibitors of the potassium channel Kv1.1-1.2((3)) by high-throughput virtual screening and automated patch clampSören J Wacker, Wiktor Jurkowski, Katie J Simmons, et al.Proceedings of the National Academy of Sciences of the United States of America|February 6, 2024
Molecular basis for human aquaporin inhibitionPeng Huang, Hannah Åbacka, Carter J Wilson, et al.Wiley Interdisciplinary Reviews. Computational Molecular Science|August 8, 2022
Pre-exascale HPC approaches for molecular dynamics simulations. Covid-19 research: A use caseMiłosz Wieczór, Vito Genna, Juan Aranda, et al.Science (New York, N.Y.)|June 17, 2008
Recognition dynamics up to microseconds revealed from an RDC-derived ubiquitin ensemble in solutionOliver F Lange, Nils-Alexander Lakomek, Christophe Farès, et al.Mabs|June 6, 2015
Structure-guided residence time optimization of a dabigatran reversal agentFelix Schiele, Joanne van Ryn, Tobias Litzenburger, et al.Journal of Biomolecular NMR|June 5, 2008
Self-consistent residual dipolar coupling based model-free analysis for the robust determination of nanosecond to microsecond protein dynamicsNils-Alexander Lakomek, Korvin F A Walter, Christophe Farès, et al.Proceedings of the National Academy of Sciences of the United States of America|August 21, 2020
A β-barrel for oil transport through lipid membranes: Dynamic NMR structures of AlkLTobias Schubeis, Tanguy Le Marchand, Csaba Daday, et al.Pageof 22