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Molecular modeling of G-protein coupled receptor kinase 2: docking and biochemical evaluation of inhibitors.
AAPS PharmSci. 2000;2(1):E2. doi: 10.1208/ps020102.
AAPS PharmSci. 2000.
PMID: 11741218
Free PMC article.
Molecular docking towards drug discovery.
Gschwend DA, Good AC, Kuntz ID.
Gschwend DA, et al.
J Mol Recognit. 1996 Mar-Apr;9(2):175-86. doi: 10.1002/(sici)1099-1352(199603)9:2<175::aid-jmr260>3.0.co;2-d.
J Mol Recognit. 1996.
PMID: 8877811
Review.
Item in Clipboard
Specificity in structure-based drug design: identification of a novel, selective inhibitor of Pneumocystis carinii dihydrofolate reductase.
Gschwend DA, Sirawaraporn W, Santi DV, Kuntz ID.
Gschwend DA, et al.
Proteins. 1997 Sep;29(1):59-67.
Proteins. 1997.
PMID: 9294866
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New molecular shape descriptors: application in database screening.
Good AC, Ewing TJ, Gschwend DA, Kuntz ID.
Good AC, et al. Among authors: gschwend da.
J Comput Aided Mol Des. 1995 Feb;9(1):1-12. doi: 10.1007/BF00117274.
J Comput Aided Mol Des. 1995.
PMID: 7751866
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Orientational sampling and rigid-body minimization in molecular docking.
Meng EC, Gschwend DA, Blaney JM, Kuntz ID.
Meng EC, et al. Among authors: gschwend da.
Proteins. 1993 Nov;17(3):266-78. doi: 10.1002/prot.340170305.
Proteins. 1993.
PMID: 8272425
Item in Clipboard
Orientational sampling and rigid-body minimization in molecular docking revisited: on-the-fly optimization and degeneracy removal.
Gschwend DA, Kuntz ID.
Gschwend DA, et al.
J Comput Aided Mol Des. 1996 Apr;10(2):123-32. doi: 10.1007/BF00402820.
J Comput Aided Mol Des. 1996.
PMID: 8741016
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Analysis and optimization of structure-based virtual screening protocols. (3). New methods and old problems in scoring function design.
Smith R, Hubbard RE, Gschwend DA, Leach AR, Good AC.
Smith R, et al. Among authors: gschwend da.
J Mol Graph Model. 2003 Sep;22(1):41-53. doi: 10.1016/S1093-3263(03)00125-6.
J Mol Graph Model. 2003.
PMID: 12798390
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ArQiologist: an integrated decision support tool for lead optimization.
Rojnuckarin A, Gschwend DA, Rotstein SH, Hartsough DS.
Rojnuckarin A, et al. Among authors: gschwend da.
J Chem Inf Model. 2005 Jan-Feb;45(1):2-9. doi: 10.1021/ci049880h.
J Chem Inf Model. 2005.
PMID: 15667123
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