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Results: 1-7 |
Results: 7
PARAMETRIZATION OF ALIPHATIC CHN UNITED ATOMS OF GROMOS96 FORCE-FIELD
Authors: DAURA X MARK AE VANGUNSTEREN WF
Citation: X. Daura et al., PARAMETRIZATION OF ALIPHATIC CHN UNITED ATOMS OF GROMOS96 FORCE-FIELD, Journal of computational chemistry, 19(5), 1998, pp. 535-547
REVERSIBLE PEPTIDE FOLDING IN SOLUTION BY MOLECULAR-DYNAMICS SIMULATION
Authors: DAURA X JAUN B SEEBACH D VANGUNSTEREN WF MARK AE
Citation: X. Daura et al., REVERSIBLE PEPTIDE FOLDING IN SOLUTION BY MOLECULAR-DYNAMICS SIMULATION, Journal of Molecular Biology, 280(5), 1998, pp. 925-932
STUDYING THE STABILITY OF A HELICAL BETA-HEPTAPEPTIDE BY MOLECULAR-DYNAMICS SIMULATIONS
Authors: DAURA X VANGUNSTEREN WF RIGO D JAUN B SEEBACH D
Citation: X. Daura et al., STUDYING THE STABILITY OF A HELICAL BETA-HEPTAPEPTIDE BY MOLECULAR-DYNAMICS SIMULATIONS, Chemistry, 3(9), 1997, pp. 1410-1417
ON THE SENSITIVITY OF MD TRAJECTORIES TO CHANGES IN WATER-PROTEIN INTERACTION PARAMETERS - THE POTATO CARBOXYPEPTIDASE INHIBITOR IN WATER AS A TEST-CASE FOR THE GROMOS FORCE-FIELD
Authors: DAURA X OLIVA B QUEROL E AVILES FX TAPIA O
Citation: X. Daura et al., ON THE SENSITIVITY OF MD TRAJECTORIES TO CHANGES IN WATER-PROTEIN INTERACTION PARAMETERS - THE POTATO CARBOXYPEPTIDASE INHIBITOR IN WATER AS A TEST-CASE FOR THE GROMOS FORCE-FIELD, Proteins, 25(1), 1996, pp. 89-103
FREE-ENERGIES OF TRANSFER OF TRP ANALOGS FROM CHLOROFORM TO WATER - COMPARISON OF THEORY AND EXPERIMENT AND THE IMPORTANCE OF ADEQUATE TREATMENT OF ELECTROSTATIC AND INTERNAL INTERACTIONS
Authors: DAURA X HUNENBERGER PH MARK AE QUEROL E AVILES FX VANGUNSTEREN WF
Citation: X. Daura et al., FREE-ENERGIES OF TRANSFER OF TRP ANALOGS FROM CHLOROFORM TO WATER - COMPARISON OF THEORY AND EXPERIMENT AND THE IMPORTANCE OF ADEQUATE TREATMENT OF ELECTROSTATIC AND INTERNAL INTERACTIONS, Journal of the American Chemical Society, 118(26), 1996, pp. 6285-6294
ON THE ENTROPIC AND HYDROPHOBIC PROPERTIES INVOLVED IN THE INHIBITORYMECHANISM OF CARBOXYPEPTIDASE-A BY ITS NATURAL INHIBITOR FROM POTATO
Authors: OLIVA B MARINO C DAURA X MOLINA MA CANALS F AVILES FX QUEROL E
Citation: B. Oliva et al., ON THE ENTROPIC AND HYDROPHOBIC PROPERTIES INVOLVED IN THE INHIBITORYMECHANISM OF CARBOXYPEPTIDASE-A BY ITS NATURAL INHIBITOR FROM POTATO, JOURNAL OF MOLECULAR MODELING, 1(2), 1995, pp. 54-67
STRUCTURE AND ATOMIC FLUCTUATION PATTERNS OF POTATO CARBOXYPEPTIDASE A INHIBITOR PROTEIN - A MOLECULAR-DYNAMICS STUDY IN WATER
Authors: OLIVA B DAURA X QUEROL E AVILES FX TAPIA O
Citation: B. Oliva et al., STRUCTURE AND ATOMIC FLUCTUATION PATTERNS OF POTATO CARBOXYPEPTIDASE A INHIBITOR PROTEIN - A MOLECULAR-DYNAMICS STUDY IN WATER, European biophysics journal, 24(1), 1995, pp. 1-11
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