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Protein Flexibility

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Ligand Parameters

Ligand Database in MDWeb (Amber Parameters)


  • MoDEL Ligand Library
  • AMBER parameter database (Richard Bryce - Manchester)
  • Modified Nucleic Acid Parameters Database (John SantaLucia - Wayne)
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
MMB group
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