Lerner MG - Search Results

1

Lipid and Peptide Diffusion in Bilayers: The Saffman-Delbrück Model and Periodic Boundary Conditions.

Venable RM, Ingólfsson HI, Lerner MG, Perrin BS Jr, Camley BA, Marrink SJ, Brown FLH, Pastor RW. Venable RM, et al. Among authors: lerner mg. J Phys Chem B. 2017 Apr 20;121(15):3443-3457. doi: 10.1021/acs.jpcb.6b09111. Epub 2017 Jan 6. J Phys Chem B. 2017. PMID: 27966982 Free PMC article.

2

Determination of biomembrane bending moduli in fully atomistic simulations.

Levine ZA, Venable RM, Watson MC, Lerner MG, Shea JE, Pastor RW, Brown FL. Levine ZA, et al. Among authors: lerner mg. J Am Chem Soc. 2014 Oct 1;136(39):13582-5. doi: 10.1021/ja507910r. Epub 2014 Sep 16. J Am Chem Soc. 2014. PMID: 25202918 Free PMC article.

3

Strong influence of periodic boundary conditions on lateral diffusion in lipid bilayer membranes.

Camley BA, Lerner MG, Pastor RW, Brown FL. Camley BA, et al. Among authors: lerner mg. J Chem Phys. 2015 Dec 28;143(24):243113. doi: 10.1063/1.4932980. J Chem Phys. 2015. PMID: 26723598 Free PMC article.

4

Single molecule diffusion of membrane-bound proteins: window into lipid contacts and bilayer dynamics.

Knight JD, Lerner MG, Marcano-Velázquez JG, Pastor RW, Falke JJ. Knight JD, et al. Among authors: lerner mg. Biophys J. 2010 Nov 3;99(9):2879-87. doi: 10.1016/j.bpj.2010.08.046. Biophys J. 2010. PMID: 21044585 Free PMC article.

5

Web-based computational chemistry education with CHARMMing II: Coarse-grained protein folding.

Pickard FC 4th, Miller BT, Schalk V, Lerner MG, Woodcock HL 3rd, Brooks BR. Pickard FC 4th, et al. Among authors: lerner mg. PLoS Comput Biol. 2014 Jul 24;10(7):e1003738. doi: 10.1371/journal.pcbi.1003738. eCollection 2014 Jul. PLoS Comput Biol. 2014. PMID: 25058338 Free PMC article.

6

Protein flexibility and species specificity in structure-based drug discovery: dihydrofolate reductase as a test system.

Bowman AL, Lerner MG, Carlson HA. Bowman AL, et al. Among authors: lerner mg. J Am Chem Soc. 2007 Mar 28;129(12):3634-40. doi: 10.1021/ja068256d. Epub 2007 Mar 3. J Am Chem Soc. 2007. PMID: 17335207

7

Incorporating dynamics in E. coli dihydrofolate reductase enhances structure-based drug discovery.

Lerner MG, Bowman AL, Carlson HA. Lerner MG, et al. J Chem Inf Model. 2007 Nov-Dec;47(6):2358-65. doi: 10.1021/ci700167n. Epub 2007 Sep 18. J Chem Inf Model. 2007. PMID: 17877338

8

Refining the multiple protein structure pharmacophore method: consistency across three independent HIV-1 protease models.

Meagher KL, Lerner MG, Carlson HA. Meagher KL, et al. Among authors: lerner mg. J Med Chem. 2006 Jun 15;49(12):3478-84. doi: 10.1021/jm050755m. J Med Chem. 2006. PMID: 16759090

9

Binding MOAD (Mother Of All Databases).

Hu L, Benson ML, Smith RD, Lerner MG, Carlson HA. Hu L, et al. Among authors: lerner mg. Proteins. 2005 Aug 15;60(3):333-40. doi: 10.1002/prot.20512. Proteins. 2005. PMID: 15971202 Free article.

10

Automated clustering of probe molecules from solvent mapping of protein surfaces: new algorithms applied to hot-spot mapping and structure-based drug design.

Lerner MG, Meagher KL, Carlson HA. Lerner MG, et al. J Comput Aided Mol Des. 2008 Oct;22(10):727-36. doi: 10.1007/s10822-008-9231-6. Epub 2008 Aug 5. J Comput Aided Mol Des. 2008. PMID: 18679808 Free PMC article.

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