ISSN 0892-7022 (Print); ISSN 1029-0435 (Online)
Publisher: Taylor and Francis Ltd
Guest Editorial: Frontiers of Molecular Simulation pp. 173-174(2) Author: Delhommelle, J.
Simulations of glasses: multiscale modeling and density of states Monte-Carlo simulations pp. 175-184(10) Authors: Ghosh, J.; Wong, B. Y.; Sun, Q.; Pon, F. R.; Faller, R.
Molecular simulation of the thermophysical properties of fluids: phase behaviour and transport properties pp. 185-189(5) Author: Sadus, R. J.
Chemical engineers at the frontiers of computational biology pp. 191-192(2) Author: King, M. R.
Effects of mutations on the C-terminus of protegrin-1: a molecular dynamics simulation study pp. 193-201(9) Authors: Langham, A. A.; Kaznessis, Y. N.
Biological network analyses: computational genomics and systems approaches pp. 203-209(7) Authors: Walton, S.P.; Li, Z.; Chan, C.
The multiscale challenge for biomolecular systems: coarse-grained modeling pp. 211-218(8) Authors: Chu, J.-W.; Izveko, S.; Voth, G. A.
Molecular investigation of the interactions of trehalose with lipid bilayers of DPPC, DPPE and their mixture pp. 219-230(12) Authors: Leekumjorn, S.; Sum, A. K.
Fluctuating charge force fields: recent developments and applications from small molecules to macromolecular biological systems pp. 231-249(19) Authors: Patel, Sandeep; Brooks, Charles L.
Multi-paradigm multi-scale simulations for fuel cell catalysts and membranes pp. 251-268(18) Authors: Goddard, W.; Merinov, B.; van Duin, A.; Jacob, T.; Blanco, M.; Molinero, V.; Jang, S.S.; Jang, Y.H.
Molecular studies of the structural properties of hydrogen gas in bulk water pp. 269-278(10) Authors: Sabo, D.; Rempe, S. B.; Greathouse, J. A.; Martin, M. G.
An in-silico study of solvent effects on the Kolbe–Schmitt reaction using a DFT method pp. 279-290(12) Authors: Stanescu, I.; Gupta, R. R.; Achenie, L. E. K.
A molecular design approach to peptide drug stabilization pp. 291-295(5) Authors: Thompson, S. M.; Sinha, S.; Topp, E. M.; Camarda, K. V.
Surface segregation phenomena in Pt–Pd nanoparticles: dependence on nanocluster size pp. 297-303(7) Authors: Ramirez Caballero, G. E.; Balbuena, P. B.
Lattice kinetic Monte Carlo simulations of defect evolution in crystals at elevated temperature pp. 305-314(10) Authors: Dai, J.; Seider, W. D.; Sinno, T.
Efficient molecular simulations for environmentally benign processes pp. 315-329(15) Authors: Ulas, S.; Diwekar, U. M.
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