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Cho, Kwang-Hwi, Kang, Young Kee, No, Kyoung Tai, Scheraga, Harold A. (2001) A Fast Method for Calculating Geometry-Dependent Net Atomic Charges for Polypeptides. The Journal of Physical Chemistry B, 105 (17). 3624-3634 doi:10.1021/jp0023213

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Reference TypeJournal (article/letter/editorial)
TitleA Fast Method for Calculating Geometry-Dependent Net Atomic Charges for Polypeptides
JournalThe Journal of Physical Chemistry B
AuthorsCho, Kwang-HwiAuthor
Kang, Young KeeAuthor
No, Kyoung TaiAuthor
Scheraga, Harold A.Author
Year2001 (May)Volume105
Issue17
PublisherAmerican Chemical Society (ACS)
DOIdoi:10.1021/jp0023213Search in ResearchGate
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Mindat Ref. ID3853721Long-form Identifiermindat:1:5:3853721:9
GUID0
Full ReferenceCho, Kwang-Hwi, Kang, Young Kee, No, Kyoung Tai, Scheraga, Harold A. (2001) A Fast Method for Calculating Geometry-Dependent Net Atomic Charges for Polypeptides. The Journal of Physical Chemistry B, 105 (17). 3624-3634 doi:10.1021/jp0023213
Plain TextCho, Kwang-Hwi, Kang, Young Kee, No, Kyoung Tai, Scheraga, Harold A. (2001) A Fast Method for Calculating Geometry-Dependent Net Atomic Charges for Polypeptides. The Journal of Physical Chemistry B, 105 (17). 3624-3634 doi:10.1021/jp0023213
In(2001, May) The Journal of Physical Chemistry B Vol. 105 (17) American Chemical Society (ACS)

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No, Kyoung Tai, Kwon, Oh Young, Kim, Su Yeon, Cho, Kwang Hwi, Yoon, Chang No, Kang, Young Kee, Gibson, Kenneth D., Jhon, Mu Shik, Scheraga, Harold A. (1995) Determination of Nonbonded Potential Parameters for Peptides. The Journal of Physical Chemistry, 99 (34). 13019-13027 doi:10.1021/j100034a049
Kang, Young Kee, Scheraga, Harold A. (2008) An Efficient Method for Calculating Atomic Charges of Peptides and Proteins from Electronic Populations. The Journal of Physical Chemistry B, 112 (17). 5470-5478 doi:10.1021/jp711484f
No, Kyoung Tai., Grant, J. Andrew., Scheraga, Harold A. (1990) Determination of net atomic charges using a modified partial equalization of orbital electronegativity method. 1. Application to neutral molecules as models for polypeptides. The Journal of Physical Chemistry, 94 (11). 4732-4739 doi:10.1021/j100374a066
No, Kyoung Tai, Cho, Kwang Hwi, Jhon, Mu Shik, Scheraga, Harold A. (1993) An empirical method to calculate average molecular polarizabilities from the dependence of effective atomic polarizabilities on net atomic charge. Journal Of The American Chemical Society, 115 (5) 2005-2014 doi:10.1021/ja00058a056
No, Kyoung Tai., Grant, J. Andrew., Jhon, Mu Shik., Scheraga, Harold A. (1990) Determination of net atomic charges using a modified partial equalization of orbital electronegativity method. 2. Application to ionic and aromatic molecules as models for polypeptides. The Journal of Physical Chemistry, 94 (11). 4740-4746 doi:10.1021/j100374a067
Kang, Young Kee, No, Kyoung Tai, Scheraga, Harold A. (1996) Intrinsic Torsional Potential Parameters for Conformational Analysis of Peptides and Proteins. The Journal of Physical Chemistry, 100 (38). 15588-15598 doi:10.1021/jp9611434
No, Kyoung Tai, Cho, Kwang Hwi, Kwon, Oh Young, Jhon, Mu Shik, Scheraga, Harold A. (1994) Determination of Proton Transfer Energies and Lattice Energies of Several Amino Acid Zwitterions. The Journal of Physical Chemistry, 98 (42). 10742-10749 doi:10.1021/j100093a012
Kwon, Oh Young, Kim, Su Yeon, No, Kyoung Tai, Kang, Young Kee, Jhon, Mu Shik, Scheraga, Harold A. (1996) Determination of Potential Parameters for Amino Acid Zwitterions. The Journal of Physical Chemistry, 100 (44). 17670-17677 doi:10.1021/jp961180v
Cho, Kwang-Hwi, No, Kyoung Tai, Scheraga, Harold A. (2000) Ion Pair Interactions in Aqueous Solution:  Self-Consistent Reaction Field (SCRF) Calculations with Some Explicit Water Molecules. The Journal of Physical Chemistry A, 104 (27). 6505-6509 doi:10.1021/jp000341z
Cho, Kwang-Hwi, No, Kyoung Tai, Scheraga, Harold A. (2002) A polarizable force field for water using an artificial neural network. Journal of Molecular Structure, 641 (1) 77-91 doi:10.1016/s0022-2860(02)00299-5
Hwang, Sung Bo, Lee, Chang Joon, Lee, Sehan, Ma, Songling, Kang, Young-Mook, Cho, Kwang Hwi, Kim, Su-Yeon, Kwon, Oh Young, Yoon, Chang No, Kang, Young Kee, Yoon, Jeong Hyeok, Nam, Ky-Youb, Kim, Seong-Gon, In, Youngyong, Chai, Han Ha, Acree, William E., Grant, J. Andrew, Gibson, Ken D., Jhon, Mu Shik, Scheraga, Harold A., No, Kyoung Tai (2020) PMFF: Development of a Physics-Based Molecular Force Field for Protein Simulation and Ligand Docking. The Journal of Physical Chemistry B, 124 (6). 974-989 doi:10.1021/acs.jpcb.9b10339
 
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