R01 GM076121/GM/NIGMS NIH HHS/United States[Grants and Funding] - Search Results

Year	Number of Results
2005	1
2006	1
2007	1
2008	3
2010	5
2011	3
2012	3
2013	3
2014	3
2015	3
2016	4
2017	3
2018	1
2019	1
2025	0

1

Protonation and pK changes in protein-ligand binding.

Onufriev AV, Alexov E. Onufriev AV, et al. Q Rev Biophys. 2013 May;46(2):181-209. doi: 10.1017/S0033583513000024. Q Rev Biophys. 2013. PMID: 23889892 Free PMC article. Review.

2

Biomolecular electrostatics and solvation: a computational perspective.

Ren P, Chun J, Thomas DG, Schnieders MJ, Marucho M, Zhang J, Baker NA. Ren P, et al. Q Rev Biophys. 2012 Nov;45(4):427-91. doi: 10.1017/S003358351200011X. Q Rev Biophys. 2012. PMID: 23217364 Free PMC article. Review.

3

Double-stranded RNA resists condensation.

Li L, Pabit SA, Meisburger SP, Pollack L. Li L, et al. Phys Rev Lett. 2011 Mar 11;106(10):108101. doi: 10.1103/PhysRevLett.106.108101. Epub 2011 Mar 10. Phys Rev Lett. 2011. PMID: 21469837 Free PMC article.

4

Speed of conformational change: comparing explicit and implicit solvent molecular dynamics simulations.

Anandakrishnan R, Drozdetski A, Walker RC, Onufriev AV. Anandakrishnan R, et al. Biophys J. 2015 Mar 10;108(5):1153-64. doi: 10.1016/j.bpj.2014.12.047. Biophys J. 2015. PMID: 25762327 Free PMC article.

5

Grid-Based Surface Generalized Born Model for Calculation of Electrostatic Binding Free Energies.

Forouzesh N, Izadi S, Onufriev AV. Forouzesh N, et al. J Chem Inf Model. 2017 Oct 23;57(10):2505-2513. doi: 10.1021/acs.jcim.7b00192. Epub 2017 Oct 5. J Chem Inf Model. 2017. PMID: 28786669

6

Partially Assembled Nucleosome Structures at Atomic Detail.

Rychkov GN, Ilatovskiy AV, Nazarov IB, Shvetsov AV, Lebedev DV, Konev AY, Isaev-Ivanov VV, Onufriev AV. Rychkov GN, et al. Biophys J. 2017 Feb 7;112(3):460-472. doi: 10.1016/j.bpj.2016.10.041. Epub 2016 Dec 28. Biophys J. 2017. PMID: 28038734 Free PMC article.

7

Building Water Models: A Different Approach.

Izadi S, Anandakrishnan R, Onufriev AV. Izadi S, et al. J Phys Chem Lett. 2014 Nov 6;5(21):3863-3871. doi: 10.1021/jz501780a. Epub 2014 Oct 16. J Phys Chem Lett. 2014. PMID: 25400877 Free PMC article.

8

Statistics and physical origins of pK and ionization state changes upon protein-ligand binding.

Aguilar B, Anandakrishnan R, Ruscio JZ, Onufriev AV. Aguilar B, et al. Biophys J. 2010 Mar 3;98(5):872-80. doi: 10.1016/j.bpj.2009.11.016. Biophys J. 2010. PMID: 20197041 Free PMC article.

9

Accuracy comparison of several common implicit solvent models and their implementations in the context of protein-ligand binding.

Katkova EV, Onufriev AV, Aguilar B, Sulimov VB. Katkova EV, et al. J Mol Graph Model. 2017 Mar;72:70-80. doi: 10.1016/j.jmgm.2016.12.011. Epub 2016 Dec 21. J Mol Graph Model. 2017. PMID: 28064081 Free PMC article.

10

The Amber biomolecular simulation programs.

Case DA, Cheatham TE 3rd, Darden T, Gohlke H, Luo R, Merz KM Jr, Onufriev A, Simmerling C, Wang B, Woods RJ. Case DA, et al. J Comput Chem. 2005 Dec;26(16):1668-88. doi: 10.1002/jcc.20290. J Comput Chem. 2005. PMID: 16200636 Free PMC article.

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