메뉴 건너뛰기




Volumn 9, Issue 10, 2000, Pages 1857-1865

Successful molecular dynamics simulation of the zinc-bound farnesyltransferase using the cationic dummy atom approach

Author keywords

Cancer research; Coordination chemistry; Drug research; Farnesyltransferase; Metalloproteins; Molecular dynamics; Zinc

Indexed keywords

CATION; METALLOPROTEIN; PROTEIN FARNESYLTRANSFERASE INHIBITOR; ZINC;

EID: 0033769641     PISSN: 09618368     EISSN: None     Source Type: Journal    
DOI: None     Document Type: Article
Times cited : (150)

References (47)
  • 1
    • 0344796204 scopus 로고
    • Ion-water interaction potentials derived from free energy perturbation simulations
    • (1990) J Phys Chem , vol.94 , pp. 8021-8224
    • Aqvist, J.1
  • 2
    • 0025005059 scopus 로고
    • Free energy relationships in metalloenzyme-catalyzed reactions. Calculations of the effects of metal ion substitutions in staphylococcal nuclease
    • (1990) J Am Chem Soc , vol.112 , pp. 2860-2868
    • Aqvist, J.1    Warshel, A.2
  • 4
    • 0000189651 scopus 로고
    • Density-functional thermochemistry. 3. The role of exact exchange
    • (1993) J Chem Phys , vol.98 , pp. 5648-5652
    • Becke, A.D.1
  • 10
    • 0001882573 scopus 로고
    • The role of zinc in alcohol dehydrogenase
    • Spiro TG, ed. Zinc enzymes. New York: John Wiley and Sons
    • (1983) , pp. 124-153
    • Eklund, H.1    Branden, C.-T.2
  • 11
    • 0347652666 scopus 로고    scopus 로고
    • Ab initio calculations of proton dissociation energies of zinc ligands: Hypothesis of imidazolate as zinc ligand in proteins
    • (1999) J Phys Chem B , vol.103 , pp. 8773-8779
    • ElYazal, J.1    Pang, Y.P.2
  • 12
    • 0007513748 scopus 로고    scopus 로고
    • Entrez
    • (1999)
  • 13
    • 0007557083 scopus 로고    scopus 로고
    • ExPASy
    • (1999)
  • 15
    • 0000828225 scopus 로고
    • Ab initio quantum chemical study of the cobalt d-d spectroscopy of several substituted zinc enzyme
    • (1993) J Am Chem Soc , vol.115 , pp. 10247-10257
    • Garmer, D.R.1    Krauss, M.2
  • 21
    • 0345491105 scopus 로고
    • Development of the Colle-Salvetti correlation-energy formula into a functional of the electron density
    • (1988) Phys Rev , vol.37 B , pp. 785
    • Lee, C.1    Yang, W.2    Parr, R.G.3
  • 25
    • 0032190415 scopus 로고    scopus 로고
    • Molecular dynamics simulations of human carbonic anhydrase II: Insight into experimental results and the role of solvation
    • (1998) Proteins , vol.33 , pp. 119-134
    • Lu, D.S.1    Voth, G.A.2
  • 26
    • 0000510540 scopus 로고    scopus 로고
    • Novel zinc protein molecular dynamics simulations: Steps toward antiangiogenesis for cancer treatment
    • (1999) J Mol Model , vol.5 , pp. 196-202
    • Pang, Y.P.1
  • 39
    • 0028815118 scopus 로고
    • Molecular dynamics simulations of alcohol dehydrogenase with a four- or five-coordinate catalytic zinc ion
    • (1995) Proteins , vol.21 , pp. 40-56
    • Ryde, U.1
  • 40
    • 0029919895 scopus 로고    scopus 로고
    • The coordination chemistry of the structural zinc ion in alcohol dehydrogenase studied by ab initio quantum chemical calculations
    • (1996) Eur Biophys J , vol.24 , pp. 213-221
    • Ryde, U.1
  • 42
    • 0029115487 scopus 로고
    • Zinc binding in proteins and solution: A simple but accurate nonbonded representation
    • (1995) Proteins , vol.23 , pp. 12-31
    • Stote, R.H.1    Karplus, M.2


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.