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Lee, Frederick S., Chu, Zhen Tao, Warshel, Arieh (1993) Microscopic and semimicroscopic calculations of electrostatic energies in proteins by the POLARIS and ENZYMIX programs. Journal of Computational Chemistry, 14 (2). 161-185 doi:10.1002/jcc.540140205

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Reference TypeJournal (article/letter/editorial)
TitleMicroscopic and semimicroscopic calculations of electrostatic energies in proteins by the POLARIS and ENZYMIX programs
JournalJournal of Computational Chemistry
AuthorsLee, Frederick S.Author
Chu, Zhen TaoAuthor
Warshel, AriehAuthor
Year1993 (February)Volume14
Issue2
PublisherWiley
DOIdoi:10.1002/jcc.540140205Search in ResearchGate
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Mindat Ref. ID3146042Long-form Identifiermindat:1:5:3146042:2
GUID0
Full ReferenceLee, Frederick S., Chu, Zhen Tao, Warshel, Arieh (1993) Microscopic and semimicroscopic calculations of electrostatic energies in proteins by the POLARIS and ENZYMIX programs. Journal of Computational Chemistry, 14 (2). 161-185 doi:10.1002/jcc.540140205
Plain TextLee, Frederick S., Chu, Zhen Tao, Warshel, Arieh (1993) Microscopic and semimicroscopic calculations of electrostatic energies in proteins by the POLARIS and ENZYMIX programs. Journal of Computational Chemistry, 14 (2). 161-185 doi:10.1002/jcc.540140205
In(1993, February) Journal of Computational Chemistry Vol. 14 (2) Wiley

See Also

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Sham, Yuk Yin, Chu, Zhen Tao, Warshel, Arieh (1997) Consistent Calculations of pKa's of Ionizable Residues in Proteins:Ā  Semi-microscopic and Microscopic Approaches. The Journal of Physical Chemistry B, 101 (22). 4458-4472 doi:10.1021/jp963412w
Alden, Rhett G., Parson, William W., Chu, Zhen Tao, Warshel, Arieh (1995) Calculations of Electrostatic Energies in Photosynthetic Reaction Centers. Journal Of The American Chemical Society, 117 (49) 12284-12298 doi:10.1021/ja00154a031
Luzhkov, V., Warshel, A. (1992) Microscopic models for quantum mechanical calculations of chemical processes in solutions: LD/AMPAC and SCAAS/AMPAC calculations of solvation energies. Journal of Computational Chemistry, 13 (2). 199-213 doi:10.1002/jcc.540130212
King, Gregory, Lee, Frederick S., Warshel, Arieh (1991) Microscopic simulations of macroscopic dielectric constants of solvated proteins. The Journal of Chemical Physics, 95 (6). 4366-4377 doi:10.1063/1.461760
Alden, Rhett G., Parson, William W., Chu, Zhen Tao, Warshel, Arieh (1996) Orientation of the OH Dipole of Tyrosine (M)210 and Its Effect on Electrostatic Energies in Photosynthetic Bacterial Reaction Centers. The Journal of Physical Chemistry, 100 (41). 16761-16770 doi:10.1021/jp961271s
Russell, S.T., Warshel, A. (1985) Calculations of electrostatic energies in proteins. Journal of Molecular Biology, 185 (2). 389-404 doi:10.1016/0022-2836(85)90411-5
Lee, Frederick S., Warshel, Arieh (1992) A local reaction field method for fast evaluation of longā€range electrostatic interactions in molecular simulations. The Journal of Chemical Physics, 97 (5). 3100-3107 doi:10.1063/1.462997
Kamerlin, Shina C. L., Haranczyk, Maciej, Warshel, Arieh (2009) Progress inAb InitioQM/MM Free-Energy Simulations of Electrostatic Energies in Proteins: Accelerated QM/MM Studies of pKa, Redox Reactions and Solvation Free Energiesā€ . The Journal of Physical Chemistry B, 113 (5). 1253-1272 doi:10.1021/jp8071712
Rosta, Edina, Haranczyk, Maciej, Chu, Zhen T., Warshel, Arieh (2008) Accelerating QM/MM Free Energy Calculations:Ā  Representing the Surroundings by an Updated Mean Charge Distribution. The Journal of Physical Chemistry B, 112 (18). 5680-5692 doi:10.1021/jp711496y
Cioslowski, Jerzy, Weniger, Ernst Joachim (1993) Bulk properties from finite cluster calculations. VIII. Benchmark calculations of the efficiency of extrapolation methods for the HF and MP2 energies of polyacenes. Journal of Computational Chemistry, 14 (12). 1468-1481 doi:10.1002/jcc.540141209
Rauhut, Guntram, Clark, Timothy (1993) Multicenter point charge model for high-quality molecular electrostatic potentials from AM1 calculations. Journal of Computational Chemistry, 14 (5). 503-509 doi:10.1002/jcc.540140502
 
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