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Disorder in Protein Structure and Function - Session Introduction., , and . Pacific Symposium on Biocomputing, page 517-519. (1999)Protein and DNA Sequence Determinants of Thermophilic Adaptation., , and . PLoS Comput. Biol., (2007)A Hybrid Knowledge-Based and Empirical Scoring Function for Protein-Ligand Interaction: SMoG2016., , and . Journal of Chemical Information and Modeling, 57 (3): 584-593 (2017)Optimality of Mutation and Selection in Germinal Centers., and . PLoS Comput. Biol., (2010)Determining functional specificity from protein sequences., and . Bioinform., 21 (11): 2629-2635 (2005)PDB-UF: database of predicted enzymatic functions for unannotated protein structures from structural genomics., , , , and . BMC Bioinform., (2006)SDR: a database of predicted specificity-determining residues in proteins., and . Nucleic Acids Res., 37 (Database-Issue): 191-194 (2009)ELISA: Structure-Function Inferences based on statistically significant and evolutionarily inspired observations., , , , , and . BMC Bioinform., (2003)FOG: Fragment Optimized Growth Algorithm for the de Novo Generation of Molecules Occupying Druglike Chemical Space., , and . Journal of Chemical Information and Modeling, 49 (7): 1630-1642 (2009)Accelerating high-throughput virtual screening through molecular pool-based active learning., , and . CoRR, (2020)