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 | 190 | 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 | 157 | 2010 |
Structural dynamics flexibility informs function and evolution at a proteome scale ZN Gerek, S Kumar, SB Ozkan Biophysical Journal 104 (2), 228a, 2013 | 113 | 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 | 77 | 2009 |
A flexible docking scheme to explore the binding selectivity of PDZ domains ZN Gerek, SB Ozkan Protein Science 19 (5), 914-928, 2010 | 68 | 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 | 53 | 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 | 47 | 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 | 39 | 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 | 38 | 2012 |
Self-diffusivity estimation by molecular dynamics ZN Gerek, JR Elliott Industrial & engineering chemistry research 49 (7), 3411-3423, 2010 | 37 | 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 | 36 | 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 | 35 | 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 | 30 | 2012 |
Molecular modeling of isomer effects in naphthenic and aromatic hydrocarbons NH Gray, ZN Gerek, JR Elliott Fluid phase equilibria 228, 147-153, 2005 | 22 | 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 | 19 | 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 | 16 | 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 | 13 | 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 | 10 | 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 | 7 | 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 | 7 | 2018 |