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Autor: Zghair, Fadhil Sami, Zakaria, Saif Khalid, Smaisim, Ghassan Fadhil, D, Shiva Kumar H, Chetverikov, Alexander P., Lusciano, Francesco, Bulcsu Szekely, Merizgui Tahar, Shih-Wen Huang, Behrendt, Cezary, Tran, Tan, Wedad M. El-Kholy, PAVAN KUMAR, Al-Najjar, Hussein M. Taqi, Dnyaneshwar Namdev Jagtap, Mrad, Sonia, Hasanaj, Petrit, Zamani, Mohammad Reza, Trisna, Beni Adi, Nnarayan Billava, Dar, Basharat A. M., Al-Siyabi, Sultan, Ahmed, Firas, Edbey, Khaled, Amjed Lateef Jabbar, Parthapratim De, Beemnet Mengesha Kassahun, Nandkishor Meshram, Pundir, Ashok, K. Sinha, Apichit Maneengam, Adeeb, Eman R., Kalhoro, Abdul Naeem, Sulaiman, Mohammed, Faraci, Rocco, Al-Dulamey, Qusay, Hongduo Cao, Lashkari, Hassan, Nibras Husein Mhawesh, Sumana Gop, M. Senapathy, Abdelgadir, Ehsan Mohammed, Aldalimi, Wafaa, Gala, Francisco Javier, Niharika Keot, Ketchakmadze, Ivane, Munaf D. F. Al-Aseebee, Ishak Saat, Al-Rawi, Muna Sameer, Gulrux Zakirova, Noraldeen, Farooq, Khudhir, Zina Saab, Michał Ruszkowski, Refugio, Craig, Al-Qadi, Naim S., Mohammed, Hussain, Jaafer Hmood Eidi, Kadhum, Naser Jawad, P. Contreras, Masrour, Mohammed, Nishanbaev, Sabir, Al-Khresheh, Mohammad Hamad, Wassan M.Hussen, Yehya A. Salih, Hatem, Abeer Dakhil, Waggas Galib Atshan, Vaseashta, Ashok, Usmonova, Malika, Omayma A. Eldahshan, Fariborz Parandin, Sahli Youcef, Enas Hussein Ali, Cortés, Farid B., Thiago Santos, El-Shazly, Mohamed, Alwardi, Anwar, Sofián El-Astal, Huse Fatkić, Sheykhangafshe, Farzin Bagheri, Paweł Przybyłowicz, Nazaruddin Sinaga, Mustafa, Firas Mahmood, Doğan, Mustafa, Bresam, Sabah, Hooshang Rostamnejad Takleh, Deneva, Vera, Olutosin Ademola Otekunrin, Evens Emmanuel, Lordkipanidze, Revaz, Sihag, Parveen, Shaden M H Mubarak, Dafchahi, Fatemeh Hoodneh, Chebbi, Sabrine, Abdelhalim Zekry, Ramzan Ahmed, Dheyaa Falih Bannay, LEÓN-DUARTE, Gustavo Adolfo, Boukhari, Sofiane, Ma'moun M. Abu-Ayyad, Shadrack Katuu, Hasan, Mohammed Faez, Abhijit Mitra, Chinaza Godswill Awuchi, Hussein, Emad Kamil, Weiss, Michael Noah, Mkhelif, Adnan Z., Gafsi, Yosra, Avargani, Mina Karimi, Charos Toshtemirova, Mehdizadeh, Mohammad, Hassen, Jasim, Zaidan, Majeed Rashid, Wa'Il A. Godaymi Al-Tumah, Fazliddin Sodiqovich Jalilov, Kversøy, Kjartan Skogly, Espejo, Mariano Ruiz, Kittichai Jookjantra, Murawski, Krzysztof, Harito, Christian, Ramírez, Víctor Hugo San Martín, Zerrouki, Toufik, Rasouli, Hassan, Vega-Baudrit, José Roberto, Trindade, Carlos Alberto Matos, Azzad Bader, Almalikee, Hussein, Al-Khashman, Omar Ali, Sözbir, Bayram, Khan, Mohammad Jobair, Morell, Christophe, Ashkan Shekaari, González, Francisco Martínez, Portalone, Gustavo, Ziapour, Arash, Ketchakmadze, Dimitri, Yu-Da Lin, Ayala, Alejandro Pedro, Yañez, Osvaldo Andres, Iliyasu Musa Omoyine, Lazzarotto, Marcelo, Muhammad, Haroon, Shyi-Long Lee, Dr Umang Patel, Housaindokht, Mohammad Reza, Diaz-Sobac, Rafael, Izadyar, Mohammad, Geethu, Radhika, Gunajyoti Das, Antarip Halder, Semikov, Rostyslav, Gehan A Hegazy, Costa, João G., Arslan, Taner, Md Zahidul Islam, Pathak, Govind, Silva, Gabrielle, Torun, Gökhan, Nguyen, Thi Tran, Junnan Lu, Vinnarasi Saravanan, Nihar R Jena, Evangelisti, Luca, Vilanova-Costa, Cesar Augusto Sam Tiago, Martínez-Araya, Jorge Ignacio, Bozorgmehr, Mohammad Reza, Joaquin Barroso-Flores, Silva, Gabriel Da, Miandehy, Mohsen, Fahimi, Peyman, Miorelli, Jonathan, Whiteside, Alexander, Junhwan Kim, Nguyen Tien Trung, Ol'ha O Brovarets

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::557dddebc313e6c1d94e538645fcbca3

Metalation of Glycylglycine: An Experimental Study Performed in Tandem with Theoretical Calculations

Autor: Richard H. Duncan Lyngdoh, Shilpi Mandal, Gunajyoti Das, Hassan Askari

Publikováno v: Journal of Chemical & Engineering Data. 60:659-673

Interactions of the Ni2+, Cu2+, and Zn2+ ions with the simplest dipeptide glycylglycine (GlyGly) are explored using various experimental and computational techniques. Solid and aqueous phase syntheses of the metalated GlyGly complexes (by solid-state

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::a69746a0313798751936d68aa37d2da8
https://doi.org/10.1021/je500799g

Dipeptides containing N-terminal threonine residues: quantum chemical structural studies on nonionic, zwitterionic and water-clustered systems

Autor: Shilpi Mandal, Gunajyoti Das

Publikováno v: Structural Chemistry. 26:1025-1037

Despite having a surprisingly limited number of functional groups, the amino acid side-chain moieties serve as important determinants for protein folding and functional diversity of proteins. The current study was aimed at investigating the influence

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::adc7428c83331ed61bfd516c1c33173b
https://doi.org/10.1007/s11224-015-0564-1

Rotational aspects of non-ionized creatine in the gas phase

Autor: Gunajyoti Das

Publikováno v: Monatshefte für Chemie - Chemical Monthly. 145:1431-1441

The conformational aspects of the non-ionic creatine molecule were explored in the gas phase at B3LYP/6-31++G(d,p) level. Using the standard split-valence 6-311++G(d,p) basis set, MP2 and B3LYP level calculations were carried out to study the creatin

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::323a40cee397ebcdd16b88bd1516ce44
https://doi.org/10.1007/s00706-014-1210-0

Physicochemical investigations of the metal complexes ofl-valine with doubly charged ions of nickel, copper and zinc: a combined experimental and computational approach

Autor: Hassan Askari, Gunajyoti Das, Shilpi Mandal

Publikováno v: RSC Adv.. 4:24796-24809

Assessment of the intrinsic structural changes inflicted by metal coordination in the molecular geometries of the genetically encoded amino acids is of fundamental importance for proper characterization and understanding of the structure–function r

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::a454c55e6b298f92e61380bd2bc813e5
https://doi.org/10.1039/c4ra01288g