GROMACS: Fast, Free and Flexible MD

Gallery

Add/Edit/Delete - Most Viewed - Last Added

Subcategories

There are 1036 Articles in this category.
Pages: 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61 62 63 64 65 66 67 68 69 70 »

GROMACS

Affentranger, R, Tavernelli, I and Di Iorio, EE
A novel Hamiltonian replica exchange MD protocol to enhance protein conformational space sampling
J. Chem. Theory Comput. 2 (2006) 217-228
[ Abstract... ]

Arinaminpathy, Y, Sansom, MSP and Biggin, PC
Binding site flexibility: Molecular simulation of partial and full agonists within a glutamate receptor
Mol. Pharmacol. 69 (2006) 5-12
[ Abstract... ]

Aschi, M, Mollica, A, Lucente, G, Paradisi, MP and Mazza, F
Conformational properties of beta-residue-containing oligopeptides in apolar solvent
J. Mol. Struct. 785 (2006) 176-181
[ Abstract... ]

Baer, M, Schreiner, E, Kohlmeyer, A, Rousseau, R and Marx, D
Inverse temperature transition of a biomimetic elastin model: Reactive flux analysis of folding/unfolding and its coupling to solvent dielectric relaxation
J. Phys. Chem. B 110 (2006) 3576-3587
[ Abstract... ]

Bagchi, A and Ghosh, TC
Structural identification of a novel thioredoxin SoxS: Prediction of the function in the process of transport of reductants during sulfur oxidation by the novel global sulfur oxidation reaction cycle
Theochem-J. Mol. Struct. 758 (2006) 113-118
[ Abstract... ]

Bagchi, A and Ghosh, TC
Structural insight into the interactions of SoxV, SoxW and SoxS in the process of transport of reductants during sulfur oxidation by the novel global sulfur oxidation reaction cycle
Biophys. Chem. 119 (2006) 7-13
[ Abstract... ]

Baleanu-Gogonea, C and Karnik, S
Model of the whole rat AT(1) receptor and the ligand-binding site
J. Mol. Model. 12 (2006) 325-337
[ Abstract... ]

Beevers, AJ and Kukol, A
Conformational flexibility of the peptide hormone ghrelin in solution and lipid membrane bound: A molecular dynamics study
J. Biomol. Struct. Dyn. 23 (2006) 357-363
[ Abstract... ]

Bernardi, F, Gaggelli, E, Molteni, E, Porciatti, E, Valensin, D and Valensin, G
H-1 and C-13-NMR and molecular dynamics studies of cyclosporin A interacting with magnesium(II) or cerium(III) in acetonitrile. Conformational changes and cis-trans conversion of peptide bonds
Biophys. J. 90 (2006) 1350-1361
[ Abstract... ]

Bernardi, RC, Gomes, DEB, Pascutti, PG, Ito, AS and Ota, AT
Theoretical studies on water-tetracaine interaction
Int. J. Quantum Chem. 106 (2006) 1277-1282
[ Abstract... ]

Berrera, M, Pantano, S and Carloni, P
CAMP modulation of the cytoplasmic domain in the HCN2 channel investigated by molecular simulations
Biophys. J. 90 (2006) 3428-3433
[ Abstract... ]

Blaak, R and Hansen, JP
Dielectric response of a polar fluid trapped in a spherical nanocavity
J. Chem. Phys. 124 (2006) 144714
[ Abstract... ]

Bojarski, AJ, Nowak, M and Testa, B
Conformational fluctuations versus constraints in amino acid side chains: The evolution of information content from free amino acids to proteins
Chem. Biodivers. 3 (2006) 245-273
[ Abstract... ]

Bond, PJ and Sansom, MSP
Insertion and assembly of membrane proteins via simulation
J. Am. Chem. Soc. 128 (2006) 2697-2704
[ Abstract... ]

Branduardi, P, Sauer, M, De Gioia, L, Zampella, G, Valli, M, Mattanovich, D and Porro, D
Lactate production yield from engineered yeasts is dependent from the host background, the lactate dehydrogenase source and the lactate export
Microb. Cell. Fact. 5 (2006) 4
[ Abstract... ]