| 443 - 443 |
Special issue: Advances in molecular dynamics simulations
Grubmuller H, Schulten K |
| 444 - 453 |
Modeling the charge distribution at metal sites in proteins for molecular dynamics simulations
Dal Peraro M, Spiegel K, Lamoureux G, De Vivo M, DeGrado WF, Klein ML |
| 454 - 469 |
Suppression of the back proton-transfer from Asp85 to the retinal Schiff base in bacteriorhodopsin: A theoretical analysis of structural elements
Bondar AN, Suhai S, Fischer S, Smith JC, Elstner M |
| 470 - 480 |
High performance computing in biology: Multimillion atom simulations of nanoscale systems
Sanbonmatsu KY, Tung CS |
| 481 - 490 |
Gap compression/extension mechanism of bacterial flagellar hook as the molecular universal joint
Furuta T, Samatey FA, Matsunami H, Imada K, Namba K, Kitao A |
| 491 - 499 |
Local structure formation in simulations of two small proteins
Jayachandran G, Vishal V, Garcia AE, Pande VS |
| 500 - 513 |
A study of collective atomic fluctuations and cooperativity in the U1A-RNA complex based on molecular dynamics simulations
Kormos BL, Baranger AM, Beveridge DL |
| 514 - 523 |
Exploring the energy landscape of protein folding using replica-exchange and conventional molecular dynamics simulations
Beck DAC, White GWN, Daggett V |
| 524 - 533 |
Replica exchange simulation of reversible folding/unfolding of the Trp-cage miniprotein in explicit solvent: On the structure and possible role of internal water
Paschek D, Nymeyer H, Garcia AE |
| 534 - 544 |
Exploring gas permeability of cellular membranes and membrane channels with molecular dynamics
Wang Y, Cohen J, Boron WF, Schulten K, Tajkhorshid E |
| 545 - 556 |
Electric field effects on membranes: Gramicidin A as a test ground
Siu SWI, Bockmann RA |
| 557 - 569 |
Fluctuations of primary ubiquitin folding intermediates in a force clamp
Grater F, Grubmuller H |
| 570 - 578 |
Multiscale simulation of transmembrane proteins
Ayton GS, Voth GA |
| 579 - 592 |
Assembly of lipoprotein particles revealed by coarse-grained molecular dynamics simulations
Shih AY, Freddolino PL, Arkhipov A, Schulten K |
| 593 - 605 |
Coarse-grained molecular dynamics simulations of membrane proteins and peptides
Bond PJ, Holyoake J, Ivetac A, Khalid S, Sansom MSP |
| 606 - 615 |
Flap opening dynamics in HIV-1 protease explored with a coarse-grained model
Tozzini V, Trylska J, Chang CE, McCammon JA |
