Hatice Gokcan - Publications
Affiliations: | Chemistry | Université de Lorraine |
Year | Citation | Score | |||
---|---|---|---|---|---|
2023 | Jaffrelot Inizan T, Plé T, Adjoua O, Ren P, Gökcan H, Isayev O, Lagardère L, Piquemal JP. Scalable hybrid deep neural networks/polarizable potentials biomolecular simulations including long-range effects. Chemical Science. 14: 5438-5452. PMID 37234902 DOI: 10.1039/d2sc04815a | 0.344 | |||
2019 | Koleva BN, Gokcan H, Rizzo AA, Lim S, Jeanne Dit Fouque K, Choy A, Liriano ML, Fernandez-Lima F, Korzhnev DM, Cisneros GA, Beuning PJ. Dynamics of the E. coli β-Clamp Dimer Interface and Its Influence on DNA Loading. Biophysical Journal. PMID 31349986 DOI: 10.1016/J.Bpj.2019.06.035 | 0.54 | |||
2019 | Gokcan H, Vazquez Montelongo EA, Cisneros GA. LICHEM 1.1: Recent Improvements and New Capabilities. Journal of Chemical Theory and Computation. PMID 30908049 DOI: 10.1021/Acs.Jctc.9B00028 | 0.627 | |||
2018 | Marion A, Gokcan H, Monard G. SemiEmpirical Born-Oppenheimer Molecular Dynamics (SEBOMD) Within the Amber Biomolecular Package. Journal of Chemical Information and Modeling. PMID 30433776 DOI: 10.1021/Acs.Jcim.8B00605 | 0.624 | |||
2018 | Gokcan H, Kratz EG, Darden TA, Piquemal JP, Cisneros GA. QM/MM Simulations with the Gaussian Electrostatic Model, A Density-Based Polarizable Potential. The Journal of Physical Chemistry Letters. PMID 29775314 DOI: 10.1021/Acs.Jpclett.8B01412 | 0.463 | |||
2016 | Gökcan H, Monard G, Sungur Konuklar FA. Molecular dynamics simulations of apo, holo, and inactivator bound GABA-at reveal the role of active site residues in PLP dependent enzymes. Proteins. 84: 875-91. PMID 26800298 DOI: 10.1002/Prot.24991 | 0.6 | |||
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