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Page 1
SAMPL2 and continuum modeling.
Nicholls A, Wlodek S, Grant JA. Nicholls A, et al. Among authors: grant ja. J Comput Aided Mol Des. 2010 Apr;24(4):293-306. doi: 10.1007/s10822-010-9334-8. Epub 2010 Apr 6. J Comput Aided Mol Des. 2010. PMID: 20372975
Molecular shape and medicinal chemistry: a perspective.
Nicholls A, McGaughey GB, Sheridan RP, Good AC, Warren G, Mathieu M, Muchmore SW, Brown SP, Grant JA, Haigh JA, Nevins N, Jain AN, Kelley B. Nicholls A, et al. Among authors: grant ja. J Med Chem. 2010 May 27;53(10):3862-86. doi: 10.1021/jm900818s. J Med Chem. 2010. PMID: 20158188 Free PMC article.
Gaussian docking functions.
McGann MR, Almond HR, Nicholls A, Grant JA, Brown FK. McGann MR, et al. Among authors: grant ja. Biopolymers. 2003 Jan;68(1):76-90. doi: 10.1002/bip.10207. Biopolymers. 2003. PMID: 12579581
Small molecule shape-fingerprints.
Haigh JA, Pickup BT, Grant JA, Nicholls A. Haigh JA, et al. Among authors: grant ja. J Chem Inf Model. 2005 May-Jun;45(3):673-84. doi: 10.1021/ci049651v. J Chem Inf Model. 2005. PMID: 15921457
317 results