Online Services

●I-TASSER ●QUARK ●LOMETS ●COACH ●COFACTOR ●MUSTER ●SEGMER ●FG-MD ●ModRefiner ●REMO ●SPRING ●COTH ●BSpred ●SVMSEQ ●ANGLOR ●BSP-SLIM ●SAXSTER ●ThreaDom ●ThreaDomEx ●EvoDesign ●GPCR-I-TASSER ●BindProf ●BindProfX ●ResQ ●IonCom ●STRUM

●TM-score ●TM-align ●MMalign ●NWalign ●EDTSurf ●MVP ●MVP-Fit ●SPICKER ●HAAD ●PSSpred ●3DRobot ●I-TASSER-MR ●NeBcon

●BioLiP ●E. coli ●GLASS ●GPCR-HGmod ●GPCR-RD ●GPCR-EXP ●TM-fold ●DECOYS ●POTENTIAL ●RW ●HPSF ●CASP7 ●CASP8 ●CASP9 ●CASP10 ●CASP11 ●CASP12

FG-MD is a molecular dynamics (MD) based algorithm for atomic-level protein structure refinement. Given an initial protein structure, FG-MD first identifies analogous fragments from the PDB by the structural alignment program TM-align. Spatial restraints extracted from the fragments are then used to to re-shape the funnel of the MD energy landscape and guide the MD conformational sampling. FG-MD aims to refine the initial models closer to the native structure. It can also improve the local geometry of the structures by removing the steric clashes and improving the torsion angle and the hydrogen-binding networks.

Cut and paste your initial protein structure (C-alpha or full-atomic) in PDB format here: Or upload the structure file from your local computer: Email: (Mandatory, where results will be sent to)

---

Reference:

Jian Zhang, Yu Liang, Yang Zhang. Atomic-Level Protein Structure Refinement Using Fragment-Guided Molecular Dynamics Conformation Sampling. Structure, 19: 1784-1795, 2011 (Download the PDF file and the Support Information).

Other Information:

• Download structural models for the 181 benchmark set proteins: 181 benchmark proteins
• Download structural models for the CASP8 targets: CASP8 models
• Download structural models for the CASP9 targets: CASP9 models