steinbrecher cai

Folding simulations for proteins with diverse ... - Semantic Scholar

(12) Case, D. A.; Babin, V.; Berryman, J. T.; Betz, R. M.; Cai, Q.; Cerutti, D. S.; ... Wu, S.R. Brozell, T. Steinbrecher, H. Gohlke, Q. Cai, X. Ye, J. Wang, M.-J. Hsieh,...

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TIGER2 with solvent energy averaging (TIGER2A): An accelerated ...

... F. Paesani, J. Vanicek, R. M. Wolf, J. Liu, X. Wu, S. R. Brozell, T. Steinbrecher, H. Gohlke, Q. Cai, X. Ye, J. Wang, M.-J. Hsieh, G. Cui, D. R. Roe, D. H. Mathews,...

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Mean field QM/MM method: Average position approximation: The ...

... F. Paesani, J. Vanicek, R. M. Wolf, J. Liu, X. Wu, S. R. Brozell, T. Steinbrecher, H. Gohlke, Q. Cai, X. Ye, J. Wang, M. J. Hsieh, G. Cui, D. R. Roe, D. H. Mathews,...

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Both DNA global deformation and repair enzyme contacts mediate ...

Jan 27, 2017 ... The photo-induced cis-syn-cyclobutane pyrimidine (CPD) dimer is a frequent DNA lesion. In bacteria photolyases efficiently repair dimers...

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Structure-based drug design studies of the interactions ofent ...

... Steinbrecher T, Gohlke H, Cai Q, Ye X, Hsieh M-J, Cui G, Roe D, Mathews D, Seetin M, Sagui C, Babin V, Luchko T, Gusarov S, Kovalenko A, Kollman P 2010.

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Absolute Free Energies for Biomolecules in Implicit or Explicit ...

[19]: T. Steinbrecher, D.L. Mobley, D.A. CaseNonlinear scaling schemes for lennard-jones interactions in free energy calculationsJ. Chem. Phys., 127 (2007), p.

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Amber - UFRC

Aug 15, 2016 ... ... F. Paesani, J. Vanicek, R.M. Wolf, J. Liu, X. Wu, S.R. Brozell, T. Steinbrecher, H. Gohlke, Q. Cai, X. Ye, J. Wang, M.-J. Hsieh, G. Cui, D.R. Roe,...

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Amber11 - Infoscience

Thomas Steinbrecher (Dresden). Holger Gohlke (Dusseldorf). Qin Cai (UC Irvine). Xiang Ye (UC Irvine). Jun Wang (UC Irvine). Meng-Juei Hsieh (UC Irvine).

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Get PDF - Wiley Online Library

Sep 29, 2015 ... Steinbrecher et al.[30, 31] to obtain ..... Steinbrecher, H. Gohlke, Q. Cai, X. Ye, J. Wang, M.-J. Hsieh, G. Cui, D. R.. Roe, D. H. Mathews, M. G....

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Computational Study of Unfolding and Regulation Mechanism of ...

Sep 17, 2012 ... ... I Kolossvary, K.F Wong, F Paesani, J Vanicek, X Wu, S.R Brozell, T Steinbrecher, H Gohlke, Q Cai, X Ye, J Wang, M. J Hsieh, G Cui, D.R Roe,...

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Inactivation of Protein Tyrosine Phosphatases by Peracids ... - Karger

Jun 18, 2015 ... ... Wong KF, Paesani F, Vanicek J, Wolf RM, Liu J, Wu X, Brozell SR, Steinbrecher T, Gohlke H, Cai Q, Ye X, Wang J, Hsieh MJ, Cui G, Roe DR,...

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Amber 12 Reference Manual

Apr 6, 2012 ... Thomas Steinbrecher (Karlsruhe). Holger Gohlke (Düsseldorf). Qin Cai (UC Irvine). Xiang Ye (UC Irvine). Jun Wang (UC Irvine). Meng-Juei...

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1 lectin-like ox-ldl receptor is expressed in human int-407 intestinal ...

Apr 4, 2003 ... (Cai et al., 2001) where they catalyze cholesterol uptake (Hauser et al., ..... (Dhaliwal and Steinbrecher, 1999; Cai et al., 2001; Lobo et al., 2001;...

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Free Energy Calculations using a Swarm-Enhanced Sampling ...

Sep 29, 2015 ... ... estimates were computed by using the approach by Steinbrecher et al. ..... Wolf RM, Liu J, Wu X, Brozell SR, Steinbrecher T, Gohlke H, Cai Q,...

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Template Synthesis of Gold Nanoparticles with an ... - NIST Web Site

Jan 16, 2014 ... Steinbrecher, T.; Gohlke, H.; Cai, Q.; Ye, X.; Wang, J.; Hsieh, M.-J.; Cui,. G.; Roe, D. R.; Mathews, D. H.; Seetin, M. G.; Sagui, C.; Babin, V.;.

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Towards a universal method for calculating hydration free energies ...

... Paesani F, Vanicek J, Liu J, Wu X, Brozell S R, Steinbrecher T, Gohlke H, Cai Q, Ye X, Wang J, Hsieh M J, Cui G, Roe D R, Mathews D H, Seetin M G, Sagui C,...

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Organic & Biomolecular Chemistry - RSC Publishing - Royal Society ...

Oct 10, 2013 ... T. Steinbrecher, H. Gohlke, Q. Cai, X. Ye, J. Wang,. M.-J. Hsieh, G. Cui, D. R. Roe, D. H. Mathews, M. G. Seetin,. R. Salomon-Ferrer, C. Sagui,...

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Publications - Case Western Reserve University

Shila Gilbert, Rongli Zhang, Lee Denson, Richard Moriggl, Kris Steinbrecher, Noah ... Peidong Han, Wenfeng Cai, Yanru Wang, Chi Keung Lam, Demetrios...

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DR_bind

... F. Paesani, J. Vanicek, J. Liu, X. Wu, S.R. Brozell, T. Steinbrecher, H. Gohlke, Q. Cai, X. Ye, J. Wang, M.-J. Hsieh, G. Cui, D.R. Roe, D.H. Mathews, M.G. Seetin,...

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Ribonucleotides as nucleotide excision repair substrates - NCBI

Nov 26, 2013 ... Cai Y, Geacintov NE, Broyde S. Nucleotide excision repair ..... Vanicek J, Liu J, Wu X, Brozell SR, Steinbrecher T, Gohlke H, Cai Q, Ye X, Wang...

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