How can CotB2V80L alter the product profile? Supporting Information

Docking results, electrostatic maps and volume calculation. CHARMM scripts for electrostatic calculation and python scripts for Monte Carlo integration on pocket volume and assement of extra volume.对接结果、静电图谱（electrostatic maps）与体积计算。 用于静电计算的CHARMM脚本，以及用于口袋体积蒙特卡洛（Monte Carlo）积分与额外体积评估的Python脚本。