DOI: 10.1021/jm801444x. Large-Scale Application of High-Throughput Molecular Mechanics with Poisson−Boltzmann Surface Area for Routine Physics-Based Scoring of Protein−Ligand Complexes

Large-Scale Application of High-Throughput Molecular Mechanics with Poisson−Boltzmann Surface Area for Routine Physics-Based Scoring of Protein−Ligand Complexes

10.1021/jm801444x

Crossref journal-article

American Chemical Society (ACS)

Journal of Medicinal Chemistry (316)

Bibliography

Brown, S. P., & Muchmore, S. W. (2009). Large-Scale Application of High-Throughput Molecular Mechanics with PoissonâBoltzmann Surface Area for Routine Physics-Based Scoring of ProteinâLigand Complexes. Journal of Medicinal Chemistry, 52(10), 3159â3165.

Authors 2

Scott P. Brown (first)
Steven W. Muchmore (additional)

References 53 Referenced 88

10.1021/jm051197e / J. Med. Chem. by Thomsen R. (2006)
10.1021/jm050043w / J. Med. Chem. by Yang C.-Y. (2006)
10.1021/jm051256o / J. Med. Chem. by Friesner R. A. (2006)
10.2174/138920306778559412 / Curr. Protein Pept. Sci. by Zsoldos Z. (2006)
{'key': 'ref5/cit5', 'author': 'Tripathi A.', 'year': '2007', 'journal-title': 'Bioorg. Med. Chem.'} / Bioorg. Med. Chem. by Tripathi A. (2007)
{'key': 'ref6/cit6', 'author': 'Taylor P.', 'year': '2007', 'journal-title': 'Br. J. Pharmacol.'} / Br. J. Pharmacol. by Taylor P. (2007)
10.1021/ci600357t / J. Chem. Inf. Model. by Catana C. (2007)
10.1021/ci6002637 / J. Chem. Inf. Model. by Corbeil C. R. (2007)
10.1002/jcc.20542 / J. Comput. Chem. by Chen H.-M. (2007)
10.1007/s10822-007-9114-2 / J. Comput.-Aided Mol. Des. by Jain A. N. (2007)
10.1002/prot.20088 / Proteins by Perola E. (2004)
10.1021/jm050362n / J. Med. Chem. by Warren G. L. (2006)
{'key': 'ref13/cit13', 'author': 'Enyedy I.', 'year': '2008', 'journal-title': 'J. Comput.-Aided Mol. Des.'} / J. Comput.-Aided Mol. Des. by Enyedy I. (2008)
10.1021/ci0342472 / J. Chem. Inf. Comput. Sci. by Hawkins D. M. (2004)
10.1021/jm0003992 / J. Med. Chem. by Stahl M. (2001)
{'key': 'ref16/cit16', 'volume-title': 'Statistical Mechanics', 'author': 'McQuarrie D. A.', 'year': '2000'} / Statistical Mechanics by McQuarrie D. A. (2000)
10.1021/ar000033j / Acc. Chem. Res. by Kollman P. A. (2000)
10.1021/ci050488t / J. Chem. Inf. Model. by Brown S. P. (2006)
10.1002/(SICI)1097-0215(19970703)72:1<1::AID-IJC1>3.0.CO;2-Z / Int. J. Cancer by Andreasen P. A. (1997)
10.1002/(SICI)1096-9098(199906)71:2<130::AID-JSO14>3.0.CO;2-9 / J. Surg. Oncol. by Duffy M. J. (1999)
10.1126/science.283.5407.1544 / Science by Elchebly M. (1999)
10.1073/pnas.142298199 / Proc. Natl. Acad. Sci. U.S.A. by Zinker B. A. (2002)
10.1126/science.277.5331.1497 / Science by Sanchez Y. (1997)
{'issue': '1', 'key': 'ref24/cit24', 'first-page': '35', 'volume': '3', 'author': 'Tenzer A.', 'year': '2003', 'journal-title': 'Curr. Med. Chem.: Anti-Cancer Agents'} / Curr. Med. Chem.: Anti-Cancer Agents by Tenzer A. (2003)
10.1074/jbc.275.10.7239 / J. Biol. Chem. by Nienaber V. (2000)
10.1021/jm034122o / J. Med. Chem. by Liu G. (2003)
10.1016/j.bmcl.2006.01.028 / Bioorg. Med. Chem. Lett. by Li G. (2006)
10.1021/jm0300072 / J. Med. Chem. by Wendt M. D. (2004)
10.1021/ja0296733 / J. Am. Chem. Soc. by Szczepankiewicz B. G. (2003)
10.1002/ijc.22198 / Int. J. Cancer by Chen Z. (2006)
10.1007/s11030-006-9041-5 / Mol. Diversity by Hassan M. (2006)
10.1021/ci7004498 / J. Chem. Inf. Model. by Muchmore S. W. (2008)
10.1002/(SICI)1096-987X(20000130)21:2<132::AID-JCC5>3.0.CO;2-P / J. Comput. Chem. by Jakalian A. (2000)
OpenEye Scientific Software, Santa Fe, NM.http://www.eyesopen.com/(accessed October 31, 2008) .
10.1021/ci700041j / J. Chem. Inf. Model. by Brown S. P. (2007)
10.1002/prot.340040104 / Proteins by Gilson M. K. (1988)
10.1021/j100785a001 / J. Phys. Chem. by Bondi A. (1964)
10.1021/j100058a043 / J. Phys. Chem. by Sitkoff D. (1994)
10.1073/pnas.71.8.2925 / Proc. Natl. Acad. Sci. U.S.A. by Reynolds J. A. (1974)
10.1016/0301-4622(94)00062-X / Biophys. Chem. by Sitkoff D. (1994)
10.1016/S0959-440X(94)90321-2 / Curr. Opin. Struct. Biol. by Case D. A. (1994)
10.1016/0010-4655(95)00041-D / Comput. Phys. Commun. by Pearlman D. A. (1995)
10.1002/1096-987X(200009)21:12<1049::AID-JCC3>3.0.CO;2-F / J. Comput. Chem. by Wang J. (2000)
10.1002/jcc.20035 / J. Comput. Chem. by Wang J. (2004)
10.1016/j.jmgm.2005.12.005 / J. Mol. Graphics Modell. by Wang J. (2006)
10.1016/0021-9991(77)90098-5 / J. Comput. Phys. by Ryckaert J. P. (1977)
10.1002/prot.20033 / Proteins: Struct., Funct., Bioinf. by Onufriev A. (2004)
Thain, D.; Tannenbaum, T.; Livny, M.Condor and the Grid;John Wiley & Sons Inc.:Hoboken, NJ, 2003; p1080. (10.1002/0470867167.ch11)
10.1021/jm0203783 / J. Med. Chem. by Wang R. (2003)
Tripos Inc., St. Louis, MO.http://www.tripos.com/(accessed October 31, 2008) .
10.1080/10691898.1997.11910597 / J. Stat. Educ. by Falk R. (1997)
{'key': 'ref52/cit52', 'volume-title': 'Statistical Power Analysis for the Behavioral Sciences', 'author': 'Cohen J.', 'year': '1988', 'edition': '2'} / Statistical Power Analysis for the Behavioral Sciences by Cohen J. (1988)
{'key': 'ref53/cit53', 'author': 'Brown S. P.', 'journal-title': 'Drug Discovery Today'} / Drug Discovery Today by Brown S. P.

Dates

Type	When
Created	16 years, 4 months ago (April 22, 2009, 10:34 a.m.)
Deposited	1 year, 5 months ago (March 12, 2024, 4:48 p.m.)
Indexed	1 month ago (Aug. 6, 2025, 9:54 a.m.)
Issued	16 years, 4 months ago (April 22, 2009)
Published	16 years, 4 months ago (April 22, 2009)
Published Online	16 years, 4 months ago (April 22, 2009)
Published Print	16 years, 3 months ago (May 28, 2009)

Funders 0

None

BibTeX

@article{Brown_2009, title={Large-Scale Application of High-Throughput Molecular Mechanics with Poissonâˆ’Boltzmann Surface Area for Routine Physics-Based Scoring of Proteinâˆ’Ligand Complexes}, volume={52}, ISSN={1520-4804}, url={http://dx.doi.org/10.1021/jm801444x}, DOI={10.1021/jm801444x}, number={10}, journal={Journal of Medicinal Chemistry}, publisher={American Chemical Society (ACS)}, author={Brown, Scott P. and Muchmore, Steven W.}, year={2009}, month=apr, pages={3159â€“3165} }

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      "year": "2006",
      "journal-title": "J. Med. Chem."
    },
    {
      "issue": "5",
      "key": "ref4/cit4",
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      "first-page": "421",
      "DOI": "10.2174/138920306778559412",
      "volume": "7",
      "author": "Zsoldos Z.",
      "year": "2006",
      "journal-title": "Curr. Protein Pept. Sci."
    },
    {
      "key": "ref5/cit5",
      "author": "Tripathi A.",
      "year": "2007",
      "journal-title": "Bioorg. Med. Chem."
    },
    {
      "key": "ref6/cit6",
      "author": "Taylor P.",
      "year": "2007",
      "journal-title": "Br. J. Pharmacol."
    },
    {
      "issue": "1",
      "key": "ref7/cit7",
      "doi-asserted-by": "crossref",
      "first-page": "85",
      "DOI": "10.1021/ci600357t",
      "volume": "47",
      "author": "Catana C.",
      "year": "2007",
      "journal-title": "J. Chem. Inf. Model."
    },
    {
      "issue": "2",
      "key": "ref8/cit8",
      "doi-asserted-by": "crossref",
      "first-page": "435",
      "DOI": "10.1021/ci6002637",
      "volume": "47",
      "author": "Corbeil C. R.",
      "year": "2007",
      "journal-title": "J. Chem. Inf. Model."
    },
    {
      "issue": "2",
      "key": "ref9/cit9",
      "doi-asserted-by": "crossref",
      "first-page": "612",
      "DOI": "10.1002/jcc.20542",
      "volume": "28",
      "author": "Chen H.-M.",
      "year": "2007",
      "journal-title": "J. Comput. Chem."
    },
    {
      "issue": "5",
      "key": "ref10/cit10",
      "doi-asserted-by": "crossref",
      "first-page": "281",
      "DOI": "10.1007/s10822-007-9114-2",
      "volume": "21",
      "author": "Jain A. N.",
      "year": "2007",
      "journal-title": "J. Comput.-Aided Mol. Des."
    },
    {
      "issue": "2",
      "key": "ref11/cit11",
      "doi-asserted-by": "crossref",
      "first-page": "235",
      "DOI": "10.1002/prot.20088",
      "volume": "56",
      "author": "Perola E.",
      "year": "2004",
      "journal-title": "Proteins"
    },
    {
      "key": "ref12/cit12",
      "doi-asserted-by": "crossref",
      "first-page": "5912",
      "DOI": "10.1021/jm050362n",
      "volume": "49",
      "author": "Warren G. L.",
      "year": "2006",
      "journal-title": "J. Med. Chem."
    },
    {
      "key": "ref13/cit13",
      "author": "Enyedy I.",
      "year": "2008",
      "journal-title": "J. Comput.-Aided Mol. Des."
    },
    {
      "issue": "1",
      "key": "ref14/cit14",
      "doi-asserted-by": "crossref",
      "first-page": "1",
      "DOI": "10.1021/ci0342472",
      "volume": "44",
      "author": "Hawkins D. M.",
      "year": "2004",
      "journal-title": "J. Chem. Inf. Comput. Sci."
    },
    {
      "issue": "7",
      "key": "ref15/cit15",
      "doi-asserted-by": "crossref",
      "first-page": "1035",
      "DOI": "10.1021/jm0003992",
      "volume": "44",
      "author": "Stahl M.",
      "year": "2001",
      "journal-title": "J. Med. Chem."
    },
    {
      "key": "ref16/cit16",
      "volume-title": "Statistical Mechanics",
      "author": "McQuarrie D. A.",
      "year": "2000"
    },
    {
      "issue": "12",
      "key": "ref17/cit17",
      "doi-asserted-by": "crossref",
      "first-page": "889",
      "DOI": "10.1021/ar000033j",
      "volume": "33",
      "author": "Kollman P. A.",
      "year": "2000",
      "journal-title": "Acc. Chem. Res."
    },
    {
      "issue": "3",
      "key": "ref18/cit18",
      "doi-asserted-by": "crossref",
      "first-page": "999",
      "DOI": "10.1021/ci050488t",
      "volume": "46",
      "author": "Brown S. P.",
      "year": "2006",
      "journal-title": "J. Chem. Inf. Model."
    },
    {
      "issue": "1",
      "key": "ref19/cit19",
      "doi-asserted-by": "crossref",
      "first-page": "1",
      "DOI": "10.1002/(SICI)1097-0215(19970703)72:1<1::AID-IJC1>3.0.CO;2-Z",
      "volume": "72",
      "author": "Andreasen P. A.",
      "year": "1997",
      "journal-title": "Int. J. Cancer"
    },
    {
      "issue": "2",
      "key": "ref20/cit20",
      "doi-asserted-by": "crossref",
      "first-page": "130",
      "DOI": "10.1002/(SICI)1096-9098(199906)71:2<130::AID-JSO14>3.0.CO;2-9",
      "volume": "71",
      "author": "Duffy M. J.",
      "year": "1999",
      "journal-title": "J. Surg. Oncol."
    },
    {
      "issue": "5407",
      "key": "ref21/cit21",
      "doi-asserted-by": "crossref",
      "first-page": "1544",
      "DOI": "10.1126/science.283.5407.1544",
      "volume": "283",
      "author": "Elchebly M.",
      "year": "1999",
      "journal-title": "Science"
    },
    {
      "issue": "17",
      "key": "ref22/cit22",
      "doi-asserted-by": "crossref",
      "first-page": "11357",
      "DOI": "10.1073/pnas.142298199",
      "volume": "99",
      "author": "Zinker B. A.",
      "year": "2002",
      "journal-title": "Proc. Natl. Acad. Sci. U.S.A."
    },
    {
      "issue": "5331",
      "key": "ref23/cit23",
      "doi-asserted-by": "crossref",
      "first-page": "1497",
      "DOI": "10.1126/science.277.5331.1497",
      "volume": "277",
      "author": "Sanchez Y.",
      "year": "1997",
      "journal-title": "Science"
    },
    {
      "issue": "1",
      "key": "ref24/cit24",
      "first-page": "35",
      "volume": "3",
      "author": "Tenzer A.",
      "year": "2003",
      "journal-title": "Curr. Med. Chem.: Anti-Cancer Agents"
    },
    {
      "issue": "10",
      "key": "ref25/cit25",
      "doi-asserted-by": "crossref",
      "first-page": "7239",
      "DOI": "10.1074/jbc.275.10.7239",
      "volume": "275",
      "author": "Nienaber V.",
      "year": "2000",
      "journal-title": "J. Biol. Chem."
    },
    {
      "issue": "20",
      "key": "ref26/cit26",
      "doi-asserted-by": "crossref",
      "first-page": "4232",
      "DOI": "10.1021/jm034122o",
      "volume": "46",
      "author": "Liu G.",
      "year": "2003",
      "journal-title": "J. Med. Chem."
    },
    {
      "issue": "8",
      "key": "ref27/cit27",
      "doi-asserted-by": "crossref",
      "first-page": "2293",
      "DOI": "10.1016/j.bmcl.2006.01.028",
      "volume": "16",
      "author": "Li G.",
      "year": "2006",
      "journal-title": "Bioorg. Med. Chem. Lett."
    },
    {
      "issue": "2",
      "key": "ref28/cit28",
      "doi-asserted-by": "crossref",
      "first-page": "303",
      "DOI": "10.1021/jm0300072",
      "volume": "47",
      "author": "Wendt M. D.",
      "year": "2004",
      "journal-title": "J. Med. Chem."
    },
    {
      "issue": "14",
      "key": "ref29/cit29",
      "doi-asserted-by": "crossref",
      "first-page": "4087",
      "DOI": "10.1021/ja0296733",
      "volume": "125",
      "author": "Szczepankiewicz B. G.",
      "year": "2003",
      "journal-title": "J. Am. Chem. Soc."
    },
    {
      "issue": "12",
      "key": "ref30/cit30",
      "doi-asserted-by": "crossref",
      "first-page": "2784",
      "DOI": "10.1002/ijc.22198",
      "volume": "119",
      "author": "Chen Z.",
      "year": "2006",
      "journal-title": "Int. J. Cancer"
    },
    {
      "issue": "3",
      "key": "ref31/cit31",
      "doi-asserted-by": "crossref",
      "first-page": "283",
      "DOI": "10.1007/s11030-006-9041-5",
      "volume": "10",
      "author": "Hassan M.",
      "year": "2006",
      "journal-title": "Mol. Diversity"
    },
    {
      "issue": "5",
      "key": "ref32/cit32",
      "doi-asserted-by": "crossref",
      "first-page": "941",
      "DOI": "10.1021/ci7004498",
      "volume": "48",
      "author": "Muchmore S. W.",
      "year": "2008",
      "journal-title": "J. Chem. Inf. Model."
    },
    {
      "issue": "2",
      "key": "ref33/cit33",
      "doi-asserted-by": "crossref",
      "first-page": "132",
      "DOI": "10.1002/(SICI)1096-987X(20000130)21:2<132::AID-JCC5>3.0.CO;2-P",
      "volume": "21",
      "author": "Jakalian A.",
      "year": "2000",
      "journal-title": "J. Comput. Chem."
    },
    {
      "key": "ref34/cit34",
      "unstructured": "OpenEye Scientific Software, Santa Fe, NM.http://www.eyesopen.com/(accessed October 31, 2008) ."
    },
    {
      "issue": "4",
      "key": "ref35/cit35",
      "doi-asserted-by": "crossref",
      "first-page": "1493",
      "DOI": "10.1021/ci700041j",
      "volume": "47",
      "author": "Brown S. P.",
      "year": "2007",
      "journal-title": "J. Chem. Inf. Model."
    },
    {
      "issue": "1",
      "key": "ref36/cit36",
      "doi-asserted-by": "crossref",
      "first-page": "7",
      "DOI": "10.1002/prot.340040104",
      "volume": "4",
      "author": "Gilson M. K.",
      "year": "1988",
      "journal-title": "Proteins"
    },
    {
      "issue": "3",
      "key": "ref37/cit37",
      "doi-asserted-by": "crossref",
      "first-page": "441",
      "DOI": "10.1021/j100785a001",
      "volume": "68",
      "author": "Bondi A.",
      "year": "1964",
      "journal-title": "J. Phys. Chem."
    },
    {
      "key": "ref38/cit38",
      "doi-asserted-by": "crossref",
      "first-page": "1978",
      "DOI": "10.1021/j100058a043",
      "volume": "98",
      "author": "Sitkoff D.",
      "year": "1994",
      "journal-title": "J. Phys. Chem."
    },
    {
      "issue": "8",
      "key": "ref39/cit39",
      "doi-asserted-by": "crossref",
      "first-page": "2925",
      "DOI": "10.1073/pnas.71.8.2925",
      "volume": "71",
      "author": "Reynolds J. A.",
      "year": "1974",
      "journal-title": "Proc. Natl. Acad. Sci. U.S.A."
    },
    {
      "issue": "2",
      "key": "ref40/cit40",
      "doi-asserted-by": "crossref",
      "first-page": "397",
      "DOI": "10.1016/0301-4622(94)00062-X",
      "volume": "51",
      "author": "Sitkoff D.",
      "year": "1994",
      "journal-title": "Biophys. Chem."
    },
    {
      "key": "ref41/cit41",
      "doi-asserted-by": "crossref",
      "first-page": "285",
      "DOI": "10.1016/S0959-440X(94)90321-2",
      "volume": "4",
      "author": "Case D. A.",
      "year": "1994",
      "journal-title": "Curr. Opin. Struct. Biol."
    },
    {
      "key": "ref42/cit42",
      "doi-asserted-by": "crossref",
      "first-page": "1",
      "DOI": "10.1016/0010-4655(95)00041-D",
      "volume": "91",
      "author": "Pearlman D. A.",
      "year": "1995",
      "journal-title": "Comput. Phys. Commun."
    },
    {
      "issue": "12",
      "key": "ref43/cit43",
      "doi-asserted-by": "crossref",
      "first-page": "1049",
      "DOI": "10.1002/1096-987X(200009)21:12<1049::AID-JCC3>3.0.CO;2-F",
      "volume": "21",
      "author": "Wang J.",
      "year": "2000",
      "journal-title": "J. Comput. Chem."
    },
    {
      "issue": "9",
      "key": "ref44/cit44",
      "doi-asserted-by": "crossref",
      "first-page": "1157",
      "DOI": "10.1002/jcc.20035",
      "volume": "25",
      "author": "Wang J.",
      "year": "2004",
      "journal-title": "J. Comput. Chem."
    },
    {
      "issue": "2",
      "key": "ref45/cit45",
      "doi-asserted-by": "crossref",
      "first-page": "247",
      "DOI": "10.1016/j.jmgm.2005.12.005",
      "volume": "25",
      "author": "Wang J.",
      "year": "2006",
      "journal-title": "J. Mol. Graphics Modell."
    },
    {
      "key": "ref46/cit46",
      "doi-asserted-by": "crossref",
      "first-page": "327",
      "DOI": "10.1016/0021-9991(77)90098-5",
      "volume": "23",
      "author": "Ryckaert J. P.",
      "year": "1977",
      "journal-title": "J. Comput. Phys."
    },
    {
      "issue": "2",
      "key": "ref47/cit47",
      "doi-asserted-by": "crossref",
      "first-page": "383",
      "DOI": "10.1002/prot.20033",
      "volume": "55",
      "author": "Onufriev A.",
      "year": "2004",
      "journal-title": "Proteins: Struct., Funct., Bioinf."
    },
    {
      "key": "ref48/cit48",
      "doi-asserted-by": "crossref",
      "unstructured": "Thain, D.; Tannenbaum, T.; Livny, M.Condor and the Grid;John Wiley & Sons Inc.:Hoboken, NJ, 2003; p1080.",
      "DOI": "10.1002/0470867167.ch11"
    },
    {
      "issue": "12",
      "key": "ref49/cit49",
      "doi-asserted-by": "crossref",
      "first-page": "2287",
      "DOI": "10.1021/jm0203783",
      "volume": "46",
      "author": "Wang R.",
      "year": "2003",
      "journal-title": "J. Med. Chem."
    },
    {
      "key": "ref50/cit50",
      "unstructured": "Tripos Inc., St. Louis, MO.http://www.tripos.com/(accessed October 31, 2008) ."
    },
    {
      "issue": "3",
      "key": "ref51/cit51",
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      "first-page": "1",
      "DOI": "10.1080/10691898.1997.11910597",
      "volume": "5",
      "author": "Falk R.",
      "year": "1997",
      "journal-title": "J. Stat. Educ."
    },
    {
      "key": "ref52/cit52",
      "volume-title": "Statistical Power Analysis for the Behavioral Sciences",
      "author": "Cohen J.",
      "year": "1988",
      "edition": "2"
    },
    {
      "key": "ref53/cit53",
      "author": "Brown S. P.",
      "journal-title": "Drug Discovery Today"
    }
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