| no |
title |
author |
magazine |
year |
volume |
issue |
page(s) |
type |
| 1 |
A computational study of the electron detachment energies of Al2As2- and Al3As3-
|
ARCHIBONG, EDET F.
|
|
2003
|
101 |
17 |
p. 2785-2792
|
article
|
| 2 |
An ab initio quantum chemical investigation of the error-coding model of nucleotide alphabet composition
|
DONAILL, DONALL Mac
|
|
2003
|
101 |
17 |
p. 2755-2762
|
article
|
| 3 |
Anhydride formation is not a valid mechanism for peptide cleavage by carboxypeptidase-A: a semiempirical reaction pathway study
|
VARDI-KILSHTAIN, ALEXANDRA
|
|
2003
|
101 |
17 |
p. 2715-2724
|
article
|
| 4 |
DYNGA: a general purpose QM-MM-MD program. I. Application to water
|
PARKER, CLAUDIA L.
|
|
2003
|
101 |
17 |
p. 2659-2668
|
article
|
| 5 |
Editorial Board
|
|
|
2003
|
101 |
17 |
p. 1
|
article
|
| 6 |
Extreme tunnelling in methylamine dehydrogenase revealed by hybrid QM/MM calculations: potential energy surface profile for methylamine and ethanolamine substrates and kinetic isotope effect values
|
TRESADERN, GARY
|
|
2003
|
101 |
17 |
p. 2775-2784
|
article
|
| 7 |
Insights into enzyme catalysis from QM/MM modelling: transition state stabilization in chorismate mutase
|
RANAGHAN, KARA E.
|
|
2003
|
101 |
17 |
p. 2695-2714
|
article
|
| 8 |
Kinetics of supersaturation decay in the crystallization of lysozyme
|
KIM, Y.W.
|
|
2003
|
101 |
17 |
p. 2677-2686
|
article
|
| 9 |
Modelling the metabolic action of human and rat CYP1A2 and its relationship with the carcinogenicity of heterocyclic amines
|
DA FONSECA, RUTE
|
|
2003
|
101 |
17 |
p. 2731-2741
|
article
|
| 10 |
Protein denaturation in vacuo: intrinsic unfolding pathways associated with the native tertiary structure of lysozyme
|
ARTECA, GUSTAVO A.
|
|
2003
|
101 |
17 |
p. 2743-2753
|
article
|
| 11 |
Seeking for binding determinants of the prion protein to human plasminogen
|
MENZIANI, M.C.
|
|
2003
|
101 |
17 |
p. 2763-2773
|
article
|
| 12 |
The importance of the asymptotic exchange-correlation potential in density functional theory
|
TOZER, DAVID J.
|
|
2003
|
101 |
17 |
p. 2669-2675
|
article
|
| 13 |
The role of water in the design of glycosidic linkage flexibility
|
NAIDOO, KEVIN J.
|
|
2003
|
101 |
17 |
p. 2687-2694
|
article
|
| 14 |
Vibrational spectroscopy of structural defects in oligothiophenes
|
YURTSEVER, ERSIN
|
|
2003
|
101 |
17 |
p. 2725-2729
|
article
|
| 15 |
(William) Graham Richards
|
HOWARD, BRIAN J.
|
|
2003
|
101 |
17 |
p. 2647-2657
|
article
|
Journal description