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Ostermeir, Katja, Zacharias, Martin (2015) Rapid Alchemical Free Energy Calculation Employing a Generalized Born Implicit Solvent Model. The Journal of Physical Chemistry B, 119 (3). 968-975 doi:10.1021/jp506367y

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Reference TypeJournal (article/letter/editorial)
TitleRapid Alchemical Free Energy Calculation Employing a Generalized Born Implicit Solvent Model
JournalThe Journal of Physical Chemistry B
AuthorsOstermeir, KatjaAuthor
Zacharias, MartinAuthor
Year2015 (January 22)Volume119
Issue3
PublisherAmerican Chemical Society (ACS)
DOIdoi:10.1021/jp506367ySearch in ResearchGate
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Mindat Ref. ID3885209Long-form Identifiermindat:1:5:3885209:3
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Full ReferenceOstermeir, Katja, Zacharias, Martin (2015) Rapid Alchemical Free Energy Calculation Employing a Generalized Born Implicit Solvent Model. The Journal of Physical Chemistry B, 119 (3). 968-975 doi:10.1021/jp506367y
Plain TextOstermeir, Katja, Zacharias, Martin (2015) Rapid Alchemical Free Energy Calculation Employing a Generalized Born Implicit Solvent Model. The Journal of Physical Chemistry B, 119 (3). 968-975 doi:10.1021/jp506367y
In(2015, January) The Journal of Physical Chemistry B Vol. 119 (3) American Chemical Society (ACS)

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Zeller, Fabian, Zacharias, Martin (2014) Evaluation of Generalized Born Model Accuracy for Absolute Binding Free Energy Calculations. The Journal of Physical Chemistry B, 118 (27). 7467-7474 doi:10.1021/jp5015934
Rieger, Manuel, Zacharias, Martin (2022) Nearest-Neighbor dsDNA Stability Analysis Using Alchemical Free-Energy Simulations. The Journal of Physical Chemistry B, 126 (20) 3640-3647 doi:10.1021/acs.jpcb.2c01138
Roe, Daniel R., Okur, Asim, Wickstrom, Lauren, Hornak, Viktor, Simmerling, Carlos (2007) Secondary Structure Bias in Generalized Born Solvent Models:  Comparison of Conformational Ensembles and Free Energy of Solvent Polarization from Explicit and Implicit Solvation. The Journal of Physical Chemistry B, 111 (7). 1846-1857 doi:10.1021/jp066831u
Brieg, Martin, Setzler, Julia, Albert, Steffen, Wenzel, Wolfgang (2017) Generalized Born implicit solvent models for small molecule hydration free energies. Physical Chemistry Chemical Physics, 19 (2). 1677-1685 doi:10.1039/c6cp07347f
Labute, Paul (2008) The generalized Born/volume integral implicit solvent model: Estimation of the free energy of hydration using London dispersion instead of atomic surface area. Journal of Computational Chemistry, 29 (10). 1693-1698 doi:10.1002/jcc.20933
Spassov, Velin Z., Yan, Lisa, Szalma, Sándor (2002) Introducing an Implicit Membrane in Generalized Born/Solvent Accessibility Continuum Solvent Models. The Journal of Physical Chemistry B, 106 (34). 8726-8738 doi:10.1021/jp020674r
Luitz, Manuel, Bomblies, Rainer, Ostermeir, Katja, Zacharias, Martin (2015) Exploring biomolecular dynamics and interactions using advanced sampling methods. Journal of Physics: Condensed Matter, 27 (32). 323101pp. doi:10.1088/0953-8984/27/32/323101
Ostermeir, Katja, Zacharias, Martin (2014) Hamiltonian replica-exchange simulations with adaptive biasing of peptide backbone and side chain dihedral angles. Journal of Computational Chemistry, 35 (2). 150-158 doi:10.1002/jcc.23476
Romanov, Alexey N., Jabin, Sergey N., Martynov, Yaroslav B., Sulimov, Alexey V., Grigoriev, Fedor V., Sulimov, Vladimir B. (2004) Surface Generalized Born Method:  A Simple, Fast, and Precise Implicit Solvent Model beyond the Coulomb Approximation. The Journal of Physical Chemistry A, 108 (43). 9323-9327 doi:10.1021/jp046721s
Jia, Xiangyu, Li, Pengfei (2019) Solvation Free Energy Calculation Using a Fixed-Charge Model: Implicit and Explicit Treatments of the Polarization Effect. The Journal of Physical Chemistry B, 123 (5). 1139-1148 doi:10.1021/acs.jpcb.8b10479
Esque, Jeremy, Cecchini, Marco (2015) Accurate Calculation of Conformational Free Energy Differences in Explicit Water: The Confinement–Solvation Free Energy Approach. The Journal of Physical Chemistry B, 119 (16). 5194-5207 doi:10.1021/acs.jpcb.5b01632
 
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