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Protein-protein docking dealing with the unknown., , and . J. Comput. Chem., 31 (2): 317-342 (2010)Parameters for molecular dynamics simulations of iron-sulfur proteins., , and . J. Comput. Chem., 34 (18): 1540-1548 (2013)Assessing the validity of DLPNO-CCSD(T) in the calculation of activation and reaction energies of ubiquitous enzymatic reactions., , and . J. Comput. Chem., 41 (29): 2459-2468 (2020)Role of the variable active site residues in the function of thioredoxin family oxidoreductases., , , , , and . J. Comput. Chem., 30 (5): 710-724 (2009)New designs for MRI contrast agents., , , , , , , , , and 12 other author(s). J. Comput. Aided Mol. Des., 17 (7): 463-473 (2003)Adaption of RoboSTEAM Project to the Pandemic Situation., , , , , , , , , and 1 other author(s). TEEM, page 40-47. ACM, (2020)AutoDock4Zn: An Improved AutoDock Force Field for Small-Molecule Docking to Zinc Metalloproteins., , , and . Journal of Chemical Information and Modeling, 54 (8): 2371-2379 (2014)Theoretical study of ribonucleotide reductase mechanism-based inhibition by 2-azido-2-deoxyribonucleoside 5-diphosphates., , and . J. Comput. Chem., 25 (2): 227-237 (2004)Calculation of distribution coefficients in the SAMPL5 challenge from atomic solvation parameters and surface areas., , and . J. Comput. Aided Mol. Des., 30 (11): 1079-1086 (2016)Computational studies of new potential antimalarial compounds - Stereoelectronic complementarity with the receptor., , , and . J. Comput. Aided Mol. Des., 17 (9): 583-595 (2003)