Z Nevin Gerek Ince
Z Nevin Gerek Ince
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Change in allosteric network affects binding affinities of PDZ domains: analysis through perturbation response scanning
ZN Gerek, SB Ozkan
PLoS computational biology 7 (10), e1002154, 2011
Manipulation of conformational change in proteins by single-residue perturbations
C Atilgan, ZN Gerek, SB Ozkan, AR Atilgan
Biophysical journal 99 (3), 933-943, 2010
Structural dynamics flexibility informs function and evolution at a proteome scale
ZN Gerek, S Kumar, SB Ozkan
Biophysical Journal 104 (2), 228a, 2013
Identification of specificity and promiscuity of PDZ domain interactions through their dynamic behavior
ZN Gerek, O Keskin, SB Ozkan
Proteins: Structure, Function, and Bioinformatics 77 (4), 796-811, 2009
A flexible docking scheme to explore the binding selectivity of PDZ domains
ZN Gerek, SB Ozkan
Protein Science 19 (5), 914-928, 2010
Transferable step potentials for the straight-chain alkanes, alkenes, alkynes, ethers, and alcohols
O Unlu, NH Gray, ZN Gerek, JR Elliott
Industrial & engineering chemistry research 43 (7), 1788-1793, 2004
BP-Dock: a flexible docking scheme for exploring protein–ligand interactions based on unbound structures
A Bolia, ZN Gerek, SB Ozkan
Journal of chemical information and modeling 54 (3), 913-925, 2014
Conformational dynamics of nonsynonymous variants at protein interfaces reveals disease association
BM Butler, ZN Gerek, S Kumar, SB Ozkan
Proteins: Structure, Function, and Bioinformatics 83 (3), 428-435, 2015
Collective dynamics differentiates functional divergence in protein evolution
TJ Glembo, DW Farrell, ZN Gerek, MF Thorpe, SB Ozkan
PLoS computational biology 8 (3), e1002428, 2012
Self-diffusivity estimation by molecular dynamics
ZN Gerek, JR Elliott
Industrial & engineering chemistry research 49 (7), 3411-3423, 2010
Transferable step potentials for amines, amides, acetates, and ketones
FS Baskaya, NH Gray, ZN Gerek, JR Elliott
Fluid phase equilibria 236 (1-2), 42-52, 2005
Adaptive evolution as a predictor of species-specific innate immune response
AE Webb, ZN Gerek, CC Morgan, TA Walsh, CE Loscher, SV Edwards, ...
Molecular biology and evolution 32 (7), 1717-1729, 2015
The binding affinities of proteins interacting with the PDZ domain of PICK1
A Bolia, ZN Gerek, O Keskin, S Banu Ozkan, KK Dev
Proteins: Structure, Function, and Bioinformatics 80 (5), 1393-1408, 2012
Molecular modeling of isomer effects in naphthenic and aromatic hydrocarbons
NH Gray, ZN Gerek, JR Elliott
Fluid phase equilibria 228, 147-153, 2005
The Monte Carlo driven and machine learning enhanced process simulator
MN Jones, J Frutiger, NG Ince, G Sin
Computers & Chemical Engineering 125, 324-338, 2019
Predicting vapor–Liquid equilibria for sour-Gas absorption in aqueous mixtures of chemical and physical solvents or ionic liquids with ePC-SAFT
M Bülow, N Gerek Ince, S Hirohama, G Sadowski, C Held
Industrial & Engineering Chemistry Research 60 (17), 6327-6336, 2021
Evolutionary Diagnosis of non-synonymous variants involved in differential drug response
NZ Gerek, L Liu, K Gerold, P Biparva, ED Thomas, S Kumar
BMC medical genomics 8, 1-6, 2015
Combining molecular dynamics and chemical process simulation: the SPEAD model
JR Elliott, ZN Gerek, N Gray
Asia‐Pacific Journal of Chemical Engineering 2 (4), 257-271, 2007
Toward an optimized design of the LNG production process: Measurement and modeling of the solubility limits of p-xylene in methane and methane+ ethane mixtures at low temperature
P Stringari, M Campestrini, NG Ince, D Bluck, S Hirohama, F Garcia, ...
Fluid Phase Equilibria 556, 113406, 2022
From property uncertainties to process simulation uncertainties–Monte Carlo methods in SimSci PRO/II process simulator
J Frutiger, M Jones, NG Ince, G Sin
Computer Aided Chemical Engineering 44, 1489-1494, 2018
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