TY - RPRT TI - Processing multimode binding situations in simulation-based prediction of ligand-macromolecule affinities. AU - Akash Khandelwal AU - Viera Lukacova AU - Daniel M Kroll AU - Soumyendu Raha AU - Dogan Comez AU - Stefan Balaz PY - 2005 DO - 10.1021/jp051105x UR - https://pubmed.ncbi.nlm.nih.gov/16833982/ ID - 16833982 ER -