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Le Grand, Scott M., Merz, Kenneth M. (1993) Rapid approximation to molecular surface area via the use of Boolean logic and look-up tables. Journal of Computational Chemistry, 14 (3). 349-352 doi:10.1002/jcc.540140309

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Reference TypeJournal (article/letter/editorial)
TitleRapid approximation to molecular surface area via the use of Boolean logic and look-up tables
JournalJournal of Computational Chemistry
AuthorsLe Grand, Scott M.Author
Merz, Kenneth M.Author
Year1993 (March)Volume14
Issue3
PublisherWiley
DOIdoi:10.1002/jcc.540140309Search in ResearchGate
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Mindat Ref. ID3146060Long-form Identifiermindat:1:5:3146060:8
GUID0
Full ReferenceLe Grand, Scott M., Merz, Kenneth M. (1993) Rapid approximation to molecular surface area via the use of Boolean logic and look-up tables. Journal of Computational Chemistry, 14 (3). 349-352 doi:10.1002/jcc.540140309
Plain TextLe Grand, Scott M., Merz, Kenneth M. (1993) Rapid approximation to molecular surface area via the use of Boolean logic and look-up tables. Journal of Computational Chemistry, 14 (3). 349-352 doi:10.1002/jcc.540140309
In(1993, March) Journal of Computational Chemistry Vol. 14 (3) Wiley

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Zheng, Ya-Jun, Le Grand, Scott M., Merz, Kenneth M. (1992) Conformational preferences for hydroxyl groups in substituted tetrahydropyrans. Journal of Computational Chemistry, 13 (6). 772-791 doi:10.1002/jcc.540130611
Glennon, Timothy M., Zheng, Ya-Jun, Le Grand, Scott M., Shutzberg, Brad A., Merz, Kenneth M. (1994) A force field for monosaccharides and (1 ? 4) linked polysaccharides. Journal of Computational Chemistry, 15 (9). 1019-1040 doi:10.1002/jcc.540150910
Estiu, Guillermina, Suárez, Dimas, Merz, Kenneth M. (2006) Quantum mechanical and molecular dynamics simulations of ureases and Zn β-lactamases. Journal of Computational Chemistry, 27 (12). 1240-1262 doi:10.1002/jcc.20411
Zheng, Ya-Jun, Merz, Kenneth M. (1992) Study of hydrogen bonding interactions relevant to biomolecular structure and function. Journal of Computational Chemistry, 13 (9). 1151-1169 doi:10.1002/jcc.540130916
Li, Xue, Fu, Zheng, Merz, Kenneth M. (2012) QM/MM refinement and analysis of protein bound retinoic acid. Journal of Computational Chemistry, 33 (3). 301-310 doi:10.1002/jcc.21978
Stanton, Robert V., Hartsough, David S., Merz, Kenneth M. (1995) An examination of a density functional/molecular mechanical coupled potential. Journal of Computational Chemistry, 16 (1). 113-128 doi:10.1002/jcc.540160110
Brothers, Edward N., Suarez, Dimas, Deerfield, David W., Merz, Kenneth M. (2004) PM3-compatible zinc parameters optimized for metalloenzyme active sites. Journal of Computational Chemistry, 25 (14). 1677-1692 doi:10.1002/jcc.20086
Suárez, Dimas, Díaz, Natalia, Merz, Kenneth M. (2002) Molecular dynamics simulations of the dinuclear zinc-β-lactamase from Bacteroides fragilis complexed with imipenem. Journal of Computational Chemistry, 23 (16). 1587-1600 doi:10.1002/jcc.10157
Wiberg, Kenneth B., Rablen, Paul R. (1993) Comparison of atomic charges derived via different procedures. Journal of Computational Chemistry, 14 (12). 1504-1518 doi:10.1002/jcc.540141213
Merz, Kenneth M. (1992) Analysis of a large data base of electrostatic potential derived atomic charges. Journal of Computational Chemistry, 13 (6). 749-767 doi:10.1002/jcc.540130609
Besler, Brent H., Merz, Kenneth M., Kollman, Peter A. (1990) Atomic charges derived from semiempirical methods. Journal of Computational Chemistry, 11 (4). 431-439 doi:10.1002/jcc.540110404
 
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