| no |
title |
author |
magazine |
year |
volume |
issue |
page(s) |
type |
| 1 |
Adaptive umbrella sampling of the potential energy: modified updating procedure of the umbrella potential and application to peptide folding
|
Bartels, Christian
|
|
1999
|
101 |
1-3 |
p. 62-66
|
article
|
| 2 |
Analyzing patterns between regular secondary structures using short structural building blocks defined by a hidden Markov model
|
Camproux, A. C.
|
|
1999
|
101 |
1-3 |
p. 33-40
|
article
|
| 3 |
A new “hydrophobic template” method detects segments forming transmembrane α-helical bundles in ion channels
|
Efremov, Roman G.
|
|
1999
|
101 |
1-3 |
p. 73-76
|
article
|
| 4 |
A statistical analytical approach to predict the secondary structure of proteins from amino acid sequence information
|
Tiwari, Shrish
|
|
1999
|
101 |
1-3 |
p. 41-45
|
article
|
| 5 |
C–H...O and C–H...N interactions in RNA structures
|
Brandl, Maria
|
|
1999
|
101 |
1-3 |
p. 103-113
|
article
|
| 6 |
Computational chemistry and the living world: from sequence to function
|
,
|
|
1999
|
101 |
1-3 |
p. 1
|
article
|
| 7 |
Dimer models for ErbB-2/neu transmembrane domains from molecular dynamics simulations
|
Sajot, Nicolas
|
|
1999
|
101 |
1-3 |
p. 67-72
|
article
|
| 8 |
Dynamics of the transmembrane domain of the ErbB-2 receptor
|
Duneau, Jean-Pierre
|
|
1999
|
101 |
1-3 |
p. 87-91
|
article
|
| 9 |
Enhanced protein crystallization around the metastable critical point
|
ten Wolde, Pieter Rein
|
|
1999
|
101 |
1-3 |
p. 205-208
|
article
|
| 10 |
Examining ligand-protein interactions with binding-energy landscapes
|
Rejto, Paul A.
|
|
1999
|
101 |
1-3 |
p. 138-142
|
article
|
| 11 |
How possible is the detection of correlated mutations?
|
Tufféry, P.
|
|
1999
|
101 |
1-3 |
p. 9-15
|
article
|
| 12 |
Identifying key electrostatic interactions in Rhizomucor miehei lipase: the influence of solvent dielectric
|
Jääskeläinen, Sanna
|
|
1999
|
101 |
1-3 |
p. 175-179
|
article
|
| 13 |
Information about the biologically relevant properties of Clostridium pasteurianum rubredoxin obtained from modeling and dynamics simulations of molecular variants
|
Moulis, J.-M.
|
|
1999
|
101 |
1-3 |
p. 223-227
|
article
|
| 14 |
Ion channels of biological membranes: prediction of single channel conductance
|
Ranatunga, Kishani M.
|
|
1999
|
101 |
1-3 |
p. 97-102
|
article
|
| 15 |
MCSS-based predictions of RNA binding sites
|
Leclerc, Fabrice
|
|
1999
|
101 |
1-3 |
p. 131-137
|
article
|
| 16 |
Modelling the active site of glyceraldehyde-3 phosphate dehydrogenase with the LSCF formalism
|
Cartier, Alain
|
|
1999
|
101 |
1-3 |
p. 241-245
|
article
|
| 17 |
Molecular dynamics simulations of the isolated domain 1 of annexin I
|
Huynh, Tru
|
|
1999
|
101 |
1-3 |
p. 82-86
|
article
|
| 18 |
Molecular modeling of the hypoxia-inducible factor-1 (HIF-1)
|
Michel, G.
|
|
1999
|
101 |
1-3 |
p. 51-56
|
article
|
| 19 |
Molecular modeling study of an abasic DNA undecamer duplex: d(GCGTGOGTGCG) · d(CGCACTCACGC)
|
Ayadi, L.
|
|
1999
|
101 |
1-3 |
p. 121-125
|
article
|
| 20 |
Molecular modelling of amphipathic basic model peptides: Interactions in aqueous solutions and in the presence of lipids
|
Sy, Denise
|
|
1999
|
101 |
1-3 |
p. 92-96
|
article
|
| 21 |
Neural networks to study invariant features of protein folding
|
Compiani, M.
|
|
1999
|
101 |
1-3 |
p. 21-26
|
article
|
| 22 |
Peptides in membranes: assessment of environmental effects via simulations using an implicit solvation model
|
Efremov, Roman G.
|
|
1999
|
101 |
1-3 |
p. 170-174
|
article
|
| 23 |
Poisson-Boltzmann calculations versus molecular dynamics simulations for calculating the electrostatic potential of a solvated peptide
|
Löffler, Gerald
|
|
1999
|
101 |
1-3 |
p. 163-169
|
article
|
| 24 |
Prediction of protein structure using a knowledge-based off-lattice united-residue force field and global optimization methods
|
Liwo, Adam
|
|
1999
|
101 |
1-3 |
p. 16-20
|
article
|
| 25 |
Prediction of solvent accessibility of amino acid residues: critical aspects
|
Mucchielli-Giorgi, M. H.
|
|
1999
|
101 |
1-3 |
p. 186-193
|
article
|
| 26 |
Prediction of stability changes upon single-site mutations using database-derived potentials
|
Gilis, Dimitri
|
|
1999
|
101 |
1-3 |
p. 46-50
|
article
|
| 27 |
SeqFold – fully automated fold recognition and modeling software – evaluation and application
|
Olszewski, Krzysztof A.
|
|
1999
|
101 |
1-3 |
p. 57-61
|
article
|
| 28 |
Sequence classification of water channels and related proteins in view of functional predictions
|
Tallur, B.
|
|
1999
|
101 |
1-3 |
p. 77-81
|
article
|
| 29 |
Sequence dependence of DNA radioprotection by the thiols WR-1065 and WR-151326
|
Sy, D.
|
|
1999
|
101 |
1-3 |
p. 114-120
|
article
|
| 30 |
Solution conformations of structured peptides: continuum electrostatics versus distance-dependent dielectric functions
|
Schaefer, Michael
|
|
1999
|
101 |
1-3 |
p. 194-204
|
article
|
| 31 |
Stabilization centers in various proteins
|
Dosztányi, Zsuzsanna
|
|
1999
|
101 |
1-3 |
p. 27-32
|
article
|
| 32 |
Structure effects on isomerization pathways and vibrational spectra of epoxysaccharides: a numerical study
|
Kirillova, Svetlana G.
|
|
1999
|
101 |
1-3 |
p. 215-222
|
article
|
| 33 |
Study of flexible joints and permanent bends in DNA fragments by brownian dynamics simulations
|
Chirico, Giuseppe
|
|
1999
|
101 |
1-3 |
p. 126-130
|
article
|
| 34 |
The effect of the protein environment on the structure and charge distribution of the retinal Schiff base in bacteriorhodopsin
|
Tajkhorshid, Emadeddin
|
|
1999
|
101 |
1-3 |
p. 180-185
|
article
|
| 35 |
Theoretical investigation of histidine-tryptophan preferential interactions
|
Alagona, Giuliano
|
|
1999
|
101 |
1-3 |
p. 143-150
|
article
|
| 36 |
Theoretical pKa calculations of proteins; the tyrosine and lysine residues of b-elicitin
|
Vogel, Hans J.
|
|
1999
|
101 |
1-3 |
p. 159-162
|
article
|
| 37 |
“Topohydrophobic positions” as key markers of globular protein folds
|
Poupon, Anne
|
|
1999
|
101 |
1-3 |
p. 2-8
|
article
|
| 38 |
Towards a theory of molecular recognition
|
Le Guennec, Patrick
|
|
1999
|
101 |
1-3 |
p. 151-158
|
article
|
| 39 |
Transition state structure invariance to model system size and calculation levels: a QM/MM study of the carboxylation step catalyzed by Rubisco
|
Moliner, V.
|
|
1999
|
101 |
1-3 |
p. 228-233
|
article
|
| 40 |
Transition-state structures for describing the enzyme-catalyzed mechanisms of rubisco
|
Andrés, J.
|
|
1999
|
101 |
1-3 |
p. 234-240
|
article
|
| 41 |
Why betaine crystallizes in high local Cs symmetry. An ab initio MO and DFT study of anhydrous betaine and betaine monohydrate
|
Nyrönen, Tommi H.
|
|
1999
|
101 |
1-3 |
p. 209-214
|
article
|
Journal description