Similar articles for PMID: 26574247

Year	Number of Results
1965	1
1998	1
2004	1
2005	2
2006	1
2007	4
2008	5
2009	10
2010	8
2011	13
2012	11
2013	12
2014	14
2015	9
2016	6
2017	6
2018	12
2019	3
2020	7
2021	11
2022	4
2023	1
2024	0

1

Binding enthalpy calculations for a neutral host-guest pair yield widely divergent salt effects across water models.

Gao K, Yin J, Henriksen NM, Fenley AT, Gilson MK. Gao K, et al. J Chem Theory Comput. 2015 Oct 13;11(10):4555-64. doi: 10.1021/acs.jctc.5b00676. Epub 2015 Sep 18. J Chem Theory Comput. 2015. PMID: 26574247 Free PMC article.

2

Host-Guest Interactions between Oxaliplatin and Cucurbit[7]uril/Cucurbit[7]uril Derivatives under Pseudo-Physiological Conditions.

Wu H, Chen H, Tang B, Kang Y, Xu JF, Zhang X. Wu H, et al. Langmuir. 2020 Feb 11;36(5):1235-1240. doi: 10.1021/acs.langmuir.9b03325. Epub 2020 Jan 27. Langmuir. 2020. PMID: 31941282

3

Computational Calorimetry: High-Precision Calculation of Host-Guest Binding Thermodynamics.

Henriksen NM, Fenley AT, Gilson MK. Henriksen NM, et al. J Chem Theory Comput. 2015 Sep 8;11(9):4377-94. doi: 10.1021/acs.jctc.5b00405. J Chem Theory Comput. 2015. PMID: 26523125 Free PMC article.

4

Salt-induced guest relocation from a macrocyclic cavity into a biomolecular pocket: interplay between cucurbit[7]uril and albumin.

Shaikh M, Mohanty J, Bhasikuttan AC, Uzunova VD, Nau WM, Pal H. Shaikh M, et al. Chem Commun (Camb). 2008 Aug 21;(31):3681-3. doi: 10.1039/b804381g. Epub 2008 Jun 12. Chem Commun (Camb). 2008. PMID: 18665298

5

The SAMPL5 host-guest challenge: computing binding free energies and enthalpies from explicit solvent simulations by the attach-pull-release (APR) method.

Yin J, Henriksen NM, Slochower DR, Gilson MK. Yin J, et al. J Comput Aided Mol Des. 2017 Jan;31(1):133-145. doi: 10.1007/s10822-016-9970-8. Epub 2016 Sep 16. J Comput Aided Mol Des. 2017. PMID: 27638809 Free PMC article.

6

Complexation mechanism of cucurbit[6]uril with hexamethylene diammonium cations in saline solution.

Liu P, Shao X, Chipot C, Cai W. Liu P, et al. Phys Chem Chem Phys. 2014 Nov 28;16(44):24169-72. doi: 10.1039/c4cp04200j. Phys Chem Chem Phys. 2014. PMID: 25311103

7

SAMPL6 host-guest challenge: binding free energies via a multistep approach.

Eken Y, Patel P, Díaz T, Jones MR, Wilson AK. Eken Y, et al. J Comput Aided Mol Des. 2018 Oct;32(10):1097-1115. doi: 10.1007/s10822-018-0159-1. Epub 2018 Sep 17. J Comput Aided Mol Des. 2018. PMID: 30225724

8

Overview of the SAMPL6 host-guest binding affinity prediction challenge.

Rizzi A, Murkli S, McNeill JN, Yao W, Sullivan M, Gilson MK, Chiu MW, Isaacs L, Gibb BC, Mobley DL, Chodera JD. Rizzi A, et al. J Comput Aided Mol Des. 2018 Oct;32(10):937-963. doi: 10.1007/s10822-018-0170-6. Epub 2018 Nov 10. J Comput Aided Mol Des. 2018. PMID: 30415285 Free PMC article.

9

Toward Improved Force-Field Accuracy through Sensitivity Analysis of Host-Guest Binding Thermodynamics.

Yin J, Fenley AT, Henriksen NM, Gilson MK. Yin J, et al. J Phys Chem B. 2015 Aug 13;119(32):10145-55. doi: 10.1021/acs.jpcb.5b04262. Epub 2015 Aug 5. J Phys Chem B. 2015. PMID: 26181208 Free PMC article.

10

Thermodynamic integration to predict host-guest binding affinities.

Lawrenz M, Wereszczynski J, Ortiz-Sánchez JM, Nichols SE, McCammon JA. Lawrenz M, et al. J Comput Aided Mol Des. 2012 May;26(5):569-76. doi: 10.1007/s10822-012-9542-5. Epub 2012 Feb 16. J Comput Aided Mol Des. 2012. PMID: 22350568 Free PMC article.

Save citations to file

Email citations

Send citations to clipboard

Add to Collections

Add to My Bibliography

Create a file for external citation management software

Your saved search

Your RSS Feed

My NCBI Filters

Results by year

Text availability

Article attribute

Article type

Publication date

132 results

Results by year