Fig. 4
From: Fast activation maximization for molecular sequence design
Protein structure optimization. a Protein sequences are designed to minimize the KL-divergence between predicted and target distance and angle distributions. The one-hot pattern is used for two of the trRosetta inputs. b Generating sequences which conform to the target predicted structure of a Sensor Histidine Kinase. Simulated Annealing was tested at several initial temperatures, with 1 substitution per step. Similarly, SeqProp and Fast SeqProp was tested at several combinations of learning rate and momentum. c Predicted residue distance distributions after 200 iterations