Ligand Database in NAFlex (Amber Parameters)


Useful links to ligand parameters and modified nucleic acids parameters (Amber format):


List of Ligand parameters of MoDEL library, included in NAFlex (click on a ligand name to obtain more information):

1DA 1MA 1MG 2MG 2PH 2PR 4HA 5GP 5MC 5MU
7MG 8OG 998 A80 ABC ACM ACN ACT ACY ADE
ADN ADP AHA APF ARN ATP AZI B18 BDN BGL
BHP BMA BME BML BNZ BOG BU1 Br- CA2 CBI
CHX CIT CMO CO3 COT CYH CYN Ca2 Cd2 Co2
Cs+ Cu2 DCM DDQ DGG DIO DM DMF DMS DNC
DOX DTT EDO EHN EOH EPE F10 FMN Fe2 GDP
GLA GLB GOL H2U HEM IDA IMD IND INT IOL
IPA IPH K+ KDG LDA LYN LYS Li+ M2G MAN
MEE MES MG2 MOH MPD MR9 MSM MTX Mg2 Mn2
NAD NEO NH3 NH4 NO3 Na+ Ni2 OAA OMC OMG
OXL OXY PBP PEG PGA PLM PO2 POP PP7 PPI
PPV PSU PYD RGUA RIP RRT RTL S6G S6G3 S6G5
SAM SB2 SBI SDG SIN SKD SO4 SOA SPM SUL
TAR TCD THM TNL TRS TTD TYM URA URE V25
WAT YG Zn2 apf arg gly lys sHBO tRNA thioG_TG