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Molecular Origin of the Charge Carrier Mobility in Small Molecule Organic Semiconductors, , , , , , , , , and 3 other author(s). Advanced Functional Materials, 26 (31): 5757--5763 (2016)SLIM: An improved generalized Born implicit membrane model., , , and . J. Comput. Chem., 35 (28): 2027-2039 (2014)Modeling loop backbone flexibility in receptor-ligand docking simulations., , and . J. Comput. Chem., 33 (31): 2504-2515 (2012)How cation nature controls the bandgap and bulk Rashba splitting of halide perovskites., , , , , , , and . J. Comput. Chem., 44 (14): 1395-1403 (2023)High Throughput in-silico Screening against Flexible Protein Receptors., and . ICCSA (3), volume 3045 of Lecture Notes in Computer Science, page 465-472. Springer, (2004)The parallel implementation of configuration-selecting multireference configuration interaction method., , and . J. Comput. Chem., 20 (14): 1559-1570 (1999)Analyzing dynamical disorder for charge transport in organic semiconductors via machine learning., , , , , and . CoRR, (2021)Performance assessment of different constraining potentials in computational structure prediction for disulfide-bridged proteins., , and . Comput. Biol. Chem., 35 (4): 230-239 (2011)Effects of energy correlations and superexchange on charge transport and exciton formation in amorphous molecular semiconductors: An ab initio study, , , , , , , and . Phys. Rev. B, 95 (11): 115204 (March 2017)Increasing Diversity in In-silico Screening with Target Flexibility., , and . CompLife, volume 3695 of Lecture Notes in Computer Science, page 186-197. Springer, (2005)