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Items: 20

1.

Automated design of collective variables using supervised machine learning.

Sultan MM, Pande VS.

J Chem Phys. 2018 Sep 7;149(9):094106. doi: 10.1063/1.5029972.

PMID:
30195289
2.

Variational encoding of complex dynamics.

Hernández CX, Wayment-Steele HK, Sultan MM, Husic BE, Pande VS.

Phys Rev E. 2018 Jun;97(6-1):062412. doi: 10.1103/PhysRevE.97.062412.

PMID:
30011547
3.

Towards simple kinetic models of functional dynamics for a kinase subfamily.

Sultan MM, Kiss G, Pande VS.

Nat Chem. 2018 Sep;10(9):903-909. doi: 10.1038/s41557-018-0077-9. Epub 2018 Jul 9.

PMID:
29988151
4.

The Role of Monocyte/Macrophage and CXCR3 in Differentiation between Recurrent Hepatitis C and Acute Cellular Rejection Postliver Transplantation.

Gomaa AI, Ehsan NA, Elrefaei AA, Sultan MM, Elsabaawy MM.

J Immunol Res. 2018 Apr 30;2018:2726939. doi: 10.1155/2018/2726939. eCollection 2018.

5.

Transferable Neural Networks for Enhanced Sampling of Protein Dynamics.

Sultan MM, Wayment-Steele HK, Pande VS.

J Chem Theory Comput. 2018 Apr 10;14(4):1887-1894. doi: 10.1021/acs.jctc.8b00025. Epub 2018 Mar 19.

PMID:
29529369
6.

Reduced Immunohistochemical Expression of Hnf1β and FoxA2 in Liver Tissue Can Discriminate Between Biliary Atresia and Other Causes of Neonatal Cholestasis.

Shaalan UF, Ibrahim NL, Ehsan NA, Sultan MM, Naser GM, Abd El-Fatah MO.

Appl Immunohistochem Mol Morphol. 2019 Apr;27(4):e32-e38. doi: 10.1097/PAI.0000000000000638.

PMID:
29406331
7.

A Minimum Variance Clustering Approach Produces Robust and Interpretable Coarse-Grained Models.

Husic BE, McKiernan KA, Wayment-Steele HK, Sultan MM, Pande VS.

J Chem Theory Comput. 2018 Feb 13;14(2):1071-1082. doi: 10.1021/acs.jctc.7b01004. Epub 2018 Jan 24.

PMID:
29253336
8.

Millisecond dynamics of BTK reveal kinome-wide conformational plasticity within the apo kinase domain.

Sultan MM, Denny RA, Unwalla R, Lovering F, Pande VS.

Sci Rep. 2017 Nov 15;7(1):15604. doi: 10.1038/s41598-017-10697-0.

9.

Transfer Learning from Markov Models Leads to Efficient Sampling of Related Systems.

Sultan MM, Pande VS.

J Phys Chem B. 2018 May 31;122(21):5291-5299. doi: 10.1021/acs.jpcb.7b06896. Epub 2017 Oct 3.

PMID:
28938073
10.

MSMBuilder: Statistical Models for Biomolecular Dynamics.

Harrigan MP, Sultan MM, Hernández CX, Husic BE, Eastman P, Schwantes CR, Beauchamp KA, McGibbon RT, Pande VS.

Biophys J. 2017 Jan 10;112(1):10-15. doi: 10.1016/j.bpj.2016.10.042.

11.

Optimized parameter selection reveals trends in Markov state models for protein folding.

Husic BE, McGibbon RT, Sultan MM, Pande VS.

J Chem Phys. 2016 Nov 21;145(19):194103.

12.

Automatic Selection of Order Parameters in the Analysis of Large Scale Molecular Dynamics Simulations.

Sultan MM, Kiss G, Shukla D, Pande VS.

J Chem Theory Comput. 2014 Dec 9;10(12):5217-5223. Epub 2014 Oct 22.

13.

Electrostatic effects on proton coupled electron transfer in oxomanganese complexes inspired by the oxygen-evolving complex of photosystem II.

Amin M, Vogt L, Vassiliev S, Rivalta I, Sultan MM, Bruce D, Brudvig GW, Batista VS, Gunner MR.

J Phys Chem B. 2013 May 23;117(20):6217-26. doi: 10.1021/jp403321b. Epub 2013 May 15.

14.

The role of CK7, Ki-67, CD34 and vimentin in the differentiation between biliary atresia and idiopathic neonatal hepatitis in Egyptian cholestatic neonates.

Aiad HA, Kandil MA, Samaka RM, Sultan MM, Badr MT, Nada GE.

APMIS. 2012 Jul;120(7):529-38. doi: 10.1111/j.1600-0463.2011.02859.x. Epub 2012 Jan 12.

PMID:
22716208
15.

Allosteric pathways in imidazole glycerol phosphate synthase.

Rivalta I, Sultan MM, Lee NS, Manley GA, Loria JP, Batista VS.

Proc Natl Acad Sci U S A. 2012 May 29;109(22):E1428-36. doi: 10.1073/pnas.1120536109. Epub 2012 May 14.

16.

Diagnostic value of hepatic intercellular adhesion molecule-1 expression in Egyptian infants with biliary atresia and other forms of neonatal cholestasis.

Ghoneim EM, Sira MM, Abd Elaziz AM, Khalil FO, Sultan MM, Mahmoud AB.

Hepatol Res. 2011 Aug;41(8):763-75. doi: 10.1111/j.1872-034X.2011.00832.x.

PMID:
21794039
17.

Biomonitoring of genotoxic risks and haematological changes in workers in rubber industry.

el-Said KF, Sultan MM.

J Egypt Public Health Assoc. 2003;78(1-2):113-25.

PMID:
17219914
18.

Nitric oxide generation by peripheral blood cells in chronic renal failure.

Fayed HM, Kame MA, Sultan MM, Mowafy MN, Helmy SM, El-Zoghby MH.

Br J Biomed Sci. 2002;59(1):24-9.

PMID:
12000182
19.

Nitric oxide generation by peripheral blood cells in chronic renal failure.

Fayed HM, Kamel MA, Sultan MM, Mowafy MN, Helmy MH, El-Zoghby SM.

Br J Biomed Sci. 2002 Jan;59(1):24-29.

PMID:
27786090
20.

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