Melek Nihan Ucisik
Melek Nihan Ucisik
Principal Computational Chemist at Foghorn Therapeutics
Verified email at - Homepage
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Insight into the cation− π interaction at the metal binding site of the copper metallochaperone CusF
DK Chakravorty, B Wang, MN Ucisik, KM Merz Jr
Journal of the American Chemical Society 133 (48), 19330-19333, 2011
DNA-encoded chemistry technology yields expedient access to SARS-CoV-2 Mpro inhibitors
S Chamakuri, S Lu, MN Ucisik, KM Bohren, YC Chen, HC Du, JC Faver, ...
Proceedings of the National Academy of Sciences 118 (36), e2111172118, 2021
Discovery and characterization of bromodomain 2–specific inhibitors of BRDT
Z Yu, AF Ku, JL Anglin, R Sharma, MN Ucisik, JC Faver, F Li, ...
Proceedings of the National Academy of Sciences 118 (9), e2021102118, 2021
Discovery of potent thrombin inhibitors from a protease-focused DNA-encoded chemical library
S Dawadi, N Simmons, G Miklossy, KM Bohren, JC Faver, MN Ucisik, ...
Proceedings of the National Academy of Sciences 117 (29), 16782-16789, 2020
Molecular Dynamics Study of Helicobacter pylori Urease
MS Minkara, MN Ucisik, MN Weaver, KM Merz Jr
Journal of chemical theory and computation 10 (5), 1852-1862, 2014
C–N coupling of DNA-conjugated (hetero) aryl bromides and chlorides for DNA-encoded chemical library synthesis
YC Chen, JC Faver, AF Ku, G Miklossy, K Riehle, KM Bohren, MN Ucisik, ...
Bioconjugate Chemistry 31 (3), 770-780, 2020
Identifying oxacillinase-48 carbapenemase inhibitors using DNA-encoded chemical libraries
DM Taylor, J Anglin, S Park, MN Ucisik, JC Faver, N Simmons, Z Jin, ...
ACS infectious diseases 6 (5), 1214-1227, 2020
Molecular Dynamics Study of Twister Ribozyme: Role of Mg2+ Ions and the Hydrogen-Bonding Network in the Active Site
MN Ucisik, PC Bevilacqua, S Hammes-Schiffer
Biochemistry 55 (27), 3834-3846, 2016
Structure and dynamics of the N-terminal domain of the Cu (I) binding protein CusB
MN Ucisik, DK Chakravorty, KM Merz Jr
Biochemistry 52 (39), 6911-6923, 2013
Bringing clarity to the prediction of protein–ligand binding free energies via “blurring”
MN Ucisik, Z Zheng, JC Faver, KM Merz
Journal of Chemical Theory and Computation 10 (3), 1314-1325, 2014
The movable type method applied to protein–ligand binding
Z Zheng, MN Ucisik, KM Merz
Journal of chemical theory and computation 9 (12), 5526-5538, 2013
Prediction of trypsin/molecular fragment binding affinities by free energy decomposition and empirical scores
ML Benson, JC Faver, MN Ucisik, DS Dashti, Z Zheng, KM Merz
Journal of computer-aided molecular design 26, 647-659, 2012
Pairwise additivity of energy components in protein-ligand binding: The HIV II protease-indinavir case
MN Ucisik, DS Dashti, JC Faver, KM Merz
The Journal of chemical physics 135 (8), 2011
Discovery of potent BET bromodomain 1 stereoselective inhibitors using DNA-encoded chemical library selections
RK Modukuri, Z Yu, Z Tan, HM Ta, MN Ucisik, Z Jin, JL Anglin, KL Sharma, ...
Proceedings of the National Academy of Sciences 119 (22), e2122506119, 2022
Trapping intermediates in metal transfer reactions of the CusCBAF export pump of Escherichia coli
KN Chacón, J Perkins, Z Mathe, K Alwan, EN Ho, MN Ucisik, KM Merz, ...
Communications Biology 1 (1), 192, 2018
Origins of the diastereoselectivity in hydrogen bonding directed Diels–Alder reactions of chiral dienes with achiral dienophiles: a computational study
S Agopcan, N Çelebi-Ölçüm, MN Üçışık, A Sanyal, V Aviyente
Organic & Biomolecular Chemistry 9 (23), 8079-8088, 2011
Computer-aided drug design: using numbers to your advantage
JC Faver, MN Ucisik, W Yang, KM Merz Jr
ACS medicinal chemistry letters 4 (9), 812-814, 2013
Insights into the mechanistic dichotomy of the protein farnesyltransferase peptide substrates CVIM and CVLS
Y Yang, B Wang, MN Ucisik, G Cui, CA Fierke, KM Merz Jr
Journal of the American Chemical Society 134 (2), 820-823, 2012
Relative binding free energies of adenine and guanine to damaged and undamaged DNA in human DNA polymerase η: Clues for fidelity and overall efficiency
MN Ucisik, S Hammes-Schiffer
Journal of the American Chemical Society 137 (41), 13240-13243, 2015
Models for the metal transfer complex of the N-terminal region of CusB and CusF
MN Ucisik, DK Chakravorty, KM Merz Jr
Biochemistry 54 (27), 4226-4235, 2015
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