Transition Path Sampling: Throwing Ropes PG Bolhuis, D Chandler, C Dellago, PL Geissler Annu. Rev. Phys. Chem 53, 291-318, 2002 | 2190 | 2002 |
Transition path sampling and the calculation of rate constants C Dellago, PG Bolhuis, FS Csajka, D Chandler The Journal of chemical physics 108 (5), 1964-1977, 1998 | 1244 | 1998 |
Tracing the phase boundaries of hard spherocylinders P Bolhuis, D Frenkel The Journal of chemical physics 106 (2), 666-687, 1997 | 946 | 1997 |
Transition path sampling C Dellago, PG Bolhuis, PL Geissler Advances in chemical physics 123, 1-78, 2002 | 775 | 2002 |
Promoting transparency and reproducibility in enhanced molecular simulations Nature methods 16 (8), 670-673, 2019 | 704 | 2019 |
A novel path sampling method for the calculation of rate constants TS Van Erp, D Moroni, PG Bolhuis The Journal of chemical physics 118 (17), 7762-7774, 2003 | 569 | 2003 |
Can polymer coils be modeled as “soft colloids”? AA Louis, PG Bolhuis, JP Hansen, EJ Meijer Physical review letters 85 (12), 2522, 2000 | 475 | 2000 |
Reaction coordinates of biomolecular isomerization PG Bolhuis, C Dellago, D Chandler Proceedings of the National Academy of Sciences 97 (11), 5877-5882, 2000 | 462 | 2000 |
Efficient transition path sampling: Application to Lennard-Jones cluster rearrangements C Dellago, PG Bolhuis, D Chandler The Journal of chemical physics 108 (22), 9236-9245, 1998 | 438 | 1998 |
Entropy difference between crystal phases PG Bolhuis, D Frenkel, SC Mau, DA Huse Nature 388 (6639), 235-235, 1997 | 396* | 1997 |
Accurate effective pair potentials for polymer solutions PG Bolhuis, AA Louis, JP Hansen, EJ Meijer The Journal of Chemical Physics 114 (9), 4296-4311, 2001 | 394 | 2001 |
On the calculation of reaction rate constants in the transition path ensemble C Dellago, PG Bolhuis, D Chandler The Journal of chemical physics 110 (14), 6617-6625, 1999 | 379 | 1999 |
Sampling ensembles of deterministic transition pathways PG Bolhuis, C Dellago, D Chandler Faraday Discussions 110, 421-436, 1998 | 374 | 1998 |
Interplay between structure and size in a critical crystal nucleus D Moroni, PR Ten Wolde, PG Bolhuis Physical review letters 94 (23), 235703, 2005 | 333 | 2005 |
Allostery in its many disguises: from theory to applications SJ Wodak, E Paci, NV Dokholyan, IN Berezovsky, A Horovitz, J Li, ... Structure 27 (4), 566-578, 2019 | 311 | 2019 |
Elaborating transition interface sampling methods TS Van Erp, PG Bolhuis Journal of computational Physics 205 (1), 157-181, 2005 | 311 | 2005 |
Mean-field fluid behavior of the Gaussian core model AA Louis, PG Bolhuis, JP Hansen Physical Review E 62 (6), 7961, 2000 | 303 | 2000 |
Sampling the multiple folding mechanisms of Trp-cage in explicit solvent J Juraszek, PG Bolhuis Proceedings of the National Academy of Sciences 103 (43), 15859-15864, 2006 | 295 | 2006 |
Transition-path sampling of β-hairpin folding PG Bolhuis Proceedings of the National Academy of Sciences 100 (21), 12129-12134, 2003 | 264 | 2003 |
Monte Carlo study of freezing of polydisperse hard spheres PG Bolhuis, DA Kofke Physical Review E 54 (1), 634, 1996 | 253 | 1996 |