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Radhakrishnan, Ravi, Schlick, Tamar (2004) Biomolecular free energy profiles by a shooting/umbrella sampling protocol, “BOLAS”. The Journal of Chemical Physics, 121 (5). 2436-2444 doi:10.1063/1.1766014

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Reference TypeJournal (article/letter/editorial)
TitleBiomolecular free energy profiles by a shooting/umbrella sampling protocol, “BOLAS”
JournalThe Journal of Chemical Physics
AuthorsRadhakrishnan, RaviAuthor
Schlick, TamarAuthor
Year2004 (August)Volume121
Issue5
PublisherAIP Publishing
DOIdoi:10.1063/1.1766014Search in ResearchGate
Generate Citation Formats
Mindat Ref. ID2290908Long-form Identifiermindat:1:5:2290908:0
GUID0
Full ReferenceRadhakrishnan, Ravi, Schlick, Tamar (2004) Biomolecular free energy profiles by a shooting/umbrella sampling protocol, “BOLAS”. The Journal of Chemical Physics, 121 (5). 2436-2444 doi:10.1063/1.1766014
Plain TextRadhakrishnan, Ravi, Schlick, Tamar (2004) Biomolecular free energy profiles by a shooting/umbrella sampling protocol, “BOLAS”. The Journal of Chemical Physics, 121 (5). 2436-2444 doi:10.1063/1.1766014
In(2004, August) The Journal of Chemical Physics Vol. 121 (5) AIP Publishing

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Radhakrishnan, Ravi, Schlick, Tamar (2005) Fidelity Discrimination in DNA Polymerase β:  Differing Closing Profiles for a Mismatched (G:A) versus Matched (G:C) Base Pair. Journal Of The American Chemical Society, 127 (38) 13245-13252 doi:10.1021/ja052623o
Zheng, Han, Zhang, Yingkai (2008) Determination of free energy profiles by repository based adaptive umbrella sampling: Bridging nonequilibrium and quasiequilibrium simulations. The Journal of Chemical Physics, 128 (20). 204106pp. doi:10.1063/1.2920476
Virnau, Peter, Müller, Marcus (2004) Calculation of free energy through successive umbrella sampling. The Journal of Chemical Physics, 120 (23). 10925-10930 doi:10.1063/1.1739216
Noh, Sang Young, Notman, Rebecca (2020) Comparison of umbrella sampling and steered molecular dynamics methods for computing free energy profiles of aromatic substrates through phospholipid bilayers. The Journal of Chemical Physics, 153 (3) 34115pp. doi:10.1063/5.0016114
Arya, Gaurav, Schlick, Tamar (2007) Efficient global biopolymer sampling with end-transfer configurational bias Monte Carlo. The Journal of Chemical Physics, 126 (4). 44107pp. doi:10.1063/1.2428305
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Murata, Katsumi, Sugita, Yuji, Okamoto, Yuko (2004) Free energy calculations for DNA base stacking by replica-exchange umbrella sampling. Chemical Physics Letters, 385. 1-7 doi:10.1016/j.cplett.2003.10.159
Barth, Eric, Schlick, Tamar (1998) Overcoming stability limitations in biomolecular dynamics. I. Combining force splitting via extrapolation with Langevin dynamics in LN. The Journal of Chemical Physics, 109 (5). 1617-1632 doi:10.1063/1.476736
Autieri, E., Sega, M., Pederiva, F., Guella, G. (2010) Puckering free energy of pyranoses: A NMR and metadynamics-umbrella sampling investigation. The Journal of Chemical Physics, 133 (9). 95104pp. doi:10.1063/1.3476466
Das, Mitradip; Venkatramani, Ravindra (2025) AutoSIM: Redesigning and automating umbrella sampling for biomolecular conformational transitions. The Journal of Chemical Physics, 163 (1). doi:10.1063/5.0268626
Wang, Jun, Gu, Yan, Liu, Haiyan (2006) Determination of conformational free energies of peptides by multidimensional adaptive umbrella sampling. The Journal of Chemical Physics, 125 (9). 94907pp. doi:10.1063/1.2346681
 
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