Detection and characterization of nonspecific, sparsely populated binding modes in the early stages of complexation

Antonio Cardone, Aaron Bornstein, Harish C. Pant, Mary Brady, Ram D. Sriram, Sergio A. Hassan. Detection and characterization of nonspecific, sparsely populated binding modes in the early stages of complexation. Journal of Computational Chemistry, 36(13):983-995, 2015. [doi]