Perryman AL - Search Results

1

The relaxed complex method: Accommodating receptor flexibility for drug design with an improved scoring scheme.

Lin JH, Perryman AL, Schames JR, McCammon JA. Lin JH, et al. Among authors: perryman al. Biopolymers. 2003 Jan;68(1):47-62. doi: 10.1002/bip.10218. Biopolymers. 2003. PMID: 12579579

2

Computational drug design accommodating receptor flexibility: the relaxed complex scheme.

Lin JH, Perryman AL, Schames JR, McCammon JA. Lin JH, et al. Among authors: perryman al. J Am Chem Soc. 2002 May 22;124(20):5632-3. doi: 10.1021/ja0260162. J Am Chem Soc. 2002. PMID: 12010024

3

Restrained molecular dynamics simulations of HIV-1 protease: the first step in validating a new target for drug design.

Perryman AL, Lin JH, McCammon JA. Perryman AL, et al. Biopolymers. 2006 Jun 15;82(3):272-84. doi: 10.1002/bip.20497. Biopolymers. 2006. PMID: 16508951

4

Optimization and computational evaluation of a series of potential active site inhibitors of the V82F/I84V drug-resistant mutant of HIV-1 protease: an application of the relaxed complex method of structure-based drug design.

Perryman AL, Lin JH, Andrew McCammon J. Perryman AL, et al. Chem Biol Drug Des. 2006 May;67(5):336-45. doi: 10.1111/j.1747-0285.2006.00382.x. Chem Biol Drug Des. 2006. PMID: 16784458

5

AutoDocking dinucleotides to the HIV-1 integrase core domain: exploring possible binding sites for viral and genomic DNA.

Perryman AL, McCammon JA. Perryman AL, et al. J Med Chem. 2002 Dec 19;45(26):5624-7. doi: 10.1021/jm025554m. J Med Chem. 2002. PMID: 12477345

6

HIV-1 protease molecular dynamics of a wild-type and of the V82F/I84V mutant: possible contributions to drug resistance and a potential new target site for drugs.

Perryman AL, Lin JH, McCammon JA. Perryman AL, et al. Protein Sci. 2004 Apr;13(4):1108-23. doi: 10.1110/ps.03468904. Protein Sci. 2004. PMID: 15044738 Free PMC article.

7

A dynamic model of HIV integrase inhibition and drug resistance.

Perryman AL, Forli S, Morris GM, Burt C, Cheng Y, Palmer MJ, Whitby K, McCammon JA, Phillips C, Olson AJ. Perryman AL, et al. J Mol Biol. 2010 Mar 26;397(2):600-15. doi: 10.1016/j.jmb.2010.01.033. Epub 2010 Jan 22. J Mol Biol. 2010. PMID: 20096702 Free PMC article.

8

Robust scoring functions for protein-ligand interactions with quantum chemical charge models.

Wang JC, Lin JH, Chen CM, Perryman AL, Olson AJ. Wang JC, et al. Among authors: perryman al. J Chem Inf Model. 2011 Oct 24;51(10):2528-37. doi: 10.1021/ci200220v. Epub 2011 Oct 7. J Chem Inf Model. 2011. PMID: 21932857 Free PMC article.

9

Identification of a novel drug lead that inhibits HCV infection and cell-to-cell transmission by targeting the HCV E2 glycoprotein.

Al Olaby RR, Cocquerel L, Zemla A, Saas L, Dubuisson J, Vielmetter J, Marcotrigiano J, Khan AG, Vences Catalan F, Perryman AL, Freundlich JS, Forli S, Levy S, Balhorn R, Azzazy HM. Al Olaby RR, et al. Among authors: perryman al. PLoS One. 2014 Oct 30;9(10):e111333. doi: 10.1371/journal.pone.0111333. eCollection 2014. PLoS One. 2014. PMID: 25357246 Free PMC article.

10

Virtual screening with AutoDock Vina and the common pharmacophore engine of a low diversity library of fragments and hits against the three allosteric sites of HIV integrase: participation in the SAMPL4 protein-ligand binding challenge.

Perryman AL, Santiago DN, Forli S, Martins DS, Olson AJ. Perryman AL, et al. J Comput Aided Mol Des. 2014 Apr;28(4):429-441. doi: 10.1007/s10822-014-9709-3. Epub 2014 Feb 4. J Comput Aided Mol Des. 2014. PMID: 24493410 Free PMC article.

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