Computation of Binding Energies Including Their Enthalpy and Entropy Components for Protein–Ligand Complexes Using Support Vector Machines von Koppisetty, Chaitanya A. K, Frank, Martin, Kemp, Graham J. L, Nyholm, Per-Georg

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Binding energy calculations for hevein–carbohydrate interactions using expanded ensemble molecular dynamics simulations von Koppisetty, Chaitanya A. K., Frank, Martin, Lyubartsev, Alexander P., Nyholm, Per-Georg

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Interaction of arylsulfatase-A (ASA) with its natural sulfoglycolipid substrates: a computational and site-directed mutagenesis study von Schenk, Matthias, Koppisetty, Chaitanya A. K, Santos, Daniela Costa, Carmona, Euridice, Bhatia, Smita, Nyholm, Per-Georg, Tanphaichitr, Nongnuj

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Selenoglycosides in silico: ab initio-derived reparameterization of MM4, conformational analysis using histo-blood group ABH antigens and lectin docking as indication for potential... von Strino, Francesco, Lii, Jenn-Huei, Koppisetty, Chaitanya A. K., Nyholm, Per-Georg, Gabius, Hans-Joachim

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Computational studies on the interaction of ABO-active saccharides with the norovirus VA387 capsid protein can explain experimental binding data von Koppisetty, Chaitanya A. K., Nasir, Waqas, Strino, Francesco, Rydell, Gustaf E., Larson, Göran, Nyholm, Per-Georg

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Lewis histo-blood group α1,3/α1,4 fucose residues may both mediate binding to GII.4 noroviruses von Nasir, Waqas, Frank, Martin, Koppisetty, Chaitanya A K, Larson, Göran, Nyholm, Per-Georg

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Sperm arylsulfatase A binds to mZP2 and mZP3 glycoproteins in a nonenzymatic manner von Xu, Hongbin, Liu, Fang, Srakaew, Nopparat, Koppisetty, Chaitanya, Nyholm, Per-Georg, Carmona, Euridice, Tanphaichitr, Nongnuj

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Lewis histo-blood group alpha1,3/alpha1,4 fucose residues may both mediate binding to GII.4 noroviruses von Nasir, Waqas, Frank, M., Koppisetty, Chaitanya A. K., Larson, G., Nyholm, Per-Georg

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