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Items: 20

1.

Modeling and simulation of protein-surface interactions: achievements and challenges.

Ozboyaci M, Kokh DB, Corni S, Wade RC.

Q Rev Biophys. 2016 Jan;49:e4. doi: 10.1017/S0033583515000256.

PMID:
26821792
2.

When the Label Matters: Adsorption of Labeled and Unlabeled Proteins on Charged Surfaces.

Romanowska J, Kokh DB, Wade RC.

Nano Lett. 2015 Nov 11;15(11):7508-13. doi: 10.1021/acs.nanolett.5b03168. Epub 2015 Oct 28.

PMID:
26491986
3.

Loss of Virologic Control and Severe Pneumocystis pneumonia in an HIV-Infected Patient Receiving Chemotherapy for Non-Small Cell Lung Cancer.

Doll M, Kleinberg M, Kokh D, Riedel DJ.

AIDS Res Hum Retroviruses. 2016 Jan;32(1):4-5. doi: 10.1089/aid.2015.0114. Epub 2015 Sep 1. No abstract available.

PMID:
26325000
4.

SDA 7: A modular and parallel implementation of the simulation of diffusional association software.

Martinez M, Bruce NJ, Romanowska J, Kokh DB, Ozboyaci M, Yu X, Öztürk MA, Richter S, Wade RC.

J Comput Chem. 2015 Aug 5;36(21):1631-45. doi: 10.1002/jcc.23971. Epub 2015 Jun 29.

PMID:
26123630
5.

"Pseudomyxoma Endometrii": Endometrial Deposition of Acellular Mucin from a Low-Grade Appendiceal Mucinous Neoplasm as a Rare Mimic of Myxoid Uterine Tumors.

Shaw KC, Kokh D, Ioffe OB, Staats PN.

Int J Gynecol Pathol. 2015 Jul;34(4):351-6. doi: 10.1097/PGP.0000000000000173.

PMID:
25851710
6.

TRAPP: a tool for analysis of transient binding pockets in proteins.

Kokh DB, Richter S, Henrich S, Czodrowski P, Rippmann F, Wade RC.

J Chem Inf Model. 2013 May 24;53(5):1235-52. doi: 10.1021/ci4000294. Epub 2013 May 16.

PMID:
23621586
7.

Docking of ubiquitin to gold nanoparticles.

Brancolini G, Kokh DB, Calzolai L, Wade RC, Corni S.

ACS Nano. 2012 Nov 27;6(11):9863-78. doi: 10.1021/nn303444b. Epub 2012 Oct 10.

PMID:
23033917
8.

The vibrationally mediated photodissociation of Cl2.

Campbell EK, Alekseyev AB, Balint-Kurti GG, Brouard M, Brown A, Buenker RJ, Johnsen AJ, Kokh DB, Lucas S, Winter B.

J Chem Phys. 2012 Sep 28;137(12):124310.

PMID:
23020334
9.

Electronic polarization effects in the photodissociation of Cl2.

Campbell EK, Alekseyev AB, Balint-Kurti GG, Brouard M, Brown A, Buenker RJ, Cireasa R, Gilchrist AJ, Johnsen AJ, Kokh DB, Lucas S, Ritchie GA, Sharples TR, Winter B.

J Chem Phys. 2012 Apr 28;136(16):164311. doi: 10.1063/1.4704830.

PMID:
22559486
10.

A complete quantum mechanical study of chlorine photodissociation.

Johnsen AJ, Alekseyev AB, Balint-Kurti GG, Brouard M, Brown A, Buenker RJ, Campbell EK, Kokh DB.

J Chem Phys. 2012 Apr 28;136(16):164310. doi: 10.1063/1.4704829.

PMID:
22559485
11.

Diffusion and association processes in biological systems: theory, computation and experiment.

Mereghetti P, Kokh D, McCammon JA, Wade RC.

BMC Biophys. 2011 Mar 2;4:2. doi: 10.1186/2046-1682-4-2.

12.

A quantitative, real-time assessment of binding of peptides and proteins to gold surfaces.

Cohavi O, Reichmann D, Abramovich R, Tesler AB, Bellapadrona G, Kokh DB, Wade RC, Vaskevich A, Rubinstein I, Schreiber G.

Chemistry. 2011 Jan 24;17(4):1327-36. doi: 10.1002/chem.201001781. Epub 2010 Dec 1.

PMID:
21243701
13.

ProMetCS: An Atomistic Force Field for Modeling Protein-Metal Surface Interactions in a Continuum Aqueous Solvent.

Kokh DB, Corni S, Winn PJ, Hoefling M, Gottschalk KE, Wade RC.

J Chem Theory Comput. 2010 May 11;6(5):1753-68. doi: 10.1021/ct100086j. Epub 2010 Apr 16.

PMID:
26615704
14.

Photodissociation of CH3Cl, C2H5Cl, and C6H5Cl on the Ag(111) surface: ab initio embedded cluster and configuration interaction study.

Kokh DB, Liebermann HP, Buenker RJ.

J Chem Phys. 2010 Feb 21;132(7):074707. doi: 10.1063/1.3322289.

PMID:
20170244
15.

Protein-surface interactions: challenging experiments and computations.

Cohavi O, Corni S, De Rienzo F, Di Felice R, Gottschalk KE, Hoefling M, Kokh D, Molinari E, Schreiber G, Vaskevich A, Wade RC.

J Mol Recognit. 2010 May-Jun;23(3):259-62. doi: 10.1002/jmr.993.

PMID:
19950121
16.

Flexible side chain models improve enrichment rates in in silico screening.

Kokh DB, Wenzel W.

J Med Chem. 2008 Oct 9;51(19):5919-31. doi: 10.1021/jm800217k. Epub 2008 Sep 5.

PMID:
18771256
17.

Theoretical study of the CH2 + O photodissociation of formaldehyde adsorbed on the Ag(111) surface.

Kokh DB, Buenker RJ, Liebermann HP, Pichl L, Whitten JL.

J Phys Chem B. 2005 Sep 29;109(38):18070-80.

PMID:
16853321
18.

HI photofragmentation revisited. Comment on "Probing excited electronic states using vibrationally mediated photolysis: Application to hydrogen iodide".

Alekseyev AB, Kokh DB, Buenker RJ.

J Phys Chem A. 2005 Apr 7;109(13):3094-6. No abstract available.

PMID:
16833634
19.
20.

Use of exchange maximization to generate starting vectors for self-consistent field calculations on metal cluster/adsorbate systems.

Buenker RJ, Whitten JL, Izgorodina EI, Liebermann HP, Kokh DB.

J Comput Chem. 2002 Jul 30;23(10):943-9.

PMID:
12116399
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