Daria Kokh
Daria Kokh
Vahvistettu sähköpostiosoite verkkotunnuksessa h-its.org
Protein binding pocket dynamics
A Stank, DB Kokh, JC Fuller, RC Wade
Accounts of chemical research 49 (5), 809-815, 2016
Docking of ubiquitin to gold nanoparticles
G Brancolini, DB Kokh, L Calzolai, RC Wade, S Corni
ACS nano 6 (11), 9863-9878, 2012
Modeling and simulation of protein–surface interactions: achievements and challenges
M Ozboyaci, DB Kokh, S Corni, RC Wade
Quarterly reviews of biophysics 49, 2016
Kinetics for Drug Discovery: an industry-driven effort to target drug residence time
DA Schuetz, WEA de Witte, YC Wong, B Knasmueller, L Richter, DB Kokh, ...
Drug Discovery Today 22 (6), 896-911, 2017
Protein conformational flexibility modulates kinetics and thermodynamics of drug binding
M Amaral, DB Kokh, J Bomke, A Wegener, HP Buchstaller, ...
Nature communications 8 (1), 1-14, 2017
On the ultraviolet photofragmentation of hydrogen iodide
AB Alekseyev, HP Liebermann, DB Kokh, RJ Buenker
The Journal of Chemical Physics 113 (15), 6174-6185, 2000
Estimation of drug-target residence times by τ-random acceleration molecular dynamics simulations
DB Kokh, M Amaral, J Bomke, U Grädler, D Musil, HP Buchstaller, ...
Journal of chemical theory and computation 14 (7), 3859-3869, 2018
New approaches for computing ligand–receptor binding kinetics
NJ Bruce, GK Ganotra, DB Kokh, SK Sadiq, RC Wade
Current opinion in structural biology 49, 1-10, 2018
Protein–surface interactions: challenging experiments and computations
O Cohavi, S Corni, F De Rienzo, R Di Felice, KE Gottschalk, M Hoefling, ...
Journal of Molecular Recognition: An Interdisciplinary Journal 23 (3), 259-262, 2010
ProMetCS: An atomistic force field for modeling protein− metal surface interactions in a continuum aqueous solvent
DB Kokh, S Corni, PJ Winn, M Hoefling, KE Gottschalk, RC Wade
Journal of chemical theory and computation 6 (5), 1753-1768, 2010
TRAPP: A Tool for Analysis of Transient Binding Pockets in Proteins
DB Kokh, S Richter, S Henrich, P Czodrowski, F Rippmann, RC Wade
Journal of chemical information and modeling 53 (5), 1235-1252, 2013
Flexible side chain models improve enrichment rates in in silico screening
DB Kokh, W Wenzel
Journal of medicinal chemistry 51 (19), 5919-5931, 2008
The 'approach-induced' I2(E0+g ↔ I2(X) D0+u) transition
ME Akopyan, NK Bibinov, DB Kokh, AM Pravilov, MB Stepanov, ...
Chem. Phys. 242 (2), 263-272, 1999
A comparative study of the electron distribution function in the positive columns in and/He dc glow discharges by optical spectroscopy and probes
NK Bibinov, DB Kokh, NB Kolokolov, VA Kostenko, D Meyer, ...
Plasma Sources Science and Technology 7 (3), 298, 1998
Theapproach-induced'I2 (E0+ g↔ I2 (X) D0+ u) transition
ME Akopyan, NK Bibinov, DB Kokh, AM Pravilov, MB Stepanov, ...
Chemical physics 242 (2), 263-272, 1999
SDA 7: A modular and parallel implementation of the simulation of diffusional association software
M Martinez, NJ Bruce, J Romanowska, DB Kokh, M Ozboyaci, X Yu, ...
Journal of computational chemistry 36 (21), 1631-1645, 2015
Receptor flexibility in small‐molecule docking calculations
DB Kokh, RC Wade, W Wenzel
Wiley Interdisciplinary Reviews: Computational Molecular Science 1 (2), 298-314, 2011
Ab initio study of spectroscopic and radiative characteristics of ion-pair states of the molecule
DB Kokh, AB Alekseyev, RJ Buenker
The Journal of Chemical Physics 115 (20), 9298-9310, 2001
Absolute calibration of the efficiency of a VUV-monochromator/detector system in the range 110-450 nm
NK Bibinov, DO Bolshukhin, DB Kokh, AM Pravilov, IP Vinogradov, ...
Measurement Science and Technology 8 (7), 773, 1997
A Quantitative, Real‐Time Assessment of Binding of Peptides and Proteins to Gold Surfaces
O Cohavi, D Reichmann, R Abramovich, AB Tesler, G Bellapadrona, ...
Chemistry–A European Journal 17 (4), 1327-1336, 2011
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Artikkelit 1–20