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Marat Valiev

pushchino scientific center for biological research (pscbi) of the russian academy of sciences

30H-index
450Paper Count
8.9KCitation Count
Published Papers 31
Publication Date
NWChem: Recent and Ongoing Developments
err2023-07-17
err12
PREAI
errMejia-Rodriguez, Daniel; Apra, Edoardo; Autschbach, Jochen; Bauman, Nicholas P.; Bylaska, Eric J.; Govind, Niranjan; Hammond, Jeff R.; Kowalski, Karol; Kunitsa, Alexander; Panyala, Ajay; Peng, Bo; Rehr, John J.; Song, Huajing; Tretiak, Sergei; Valiev, Marat; Vila, Fernando D.
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Site Density Functional Theory and Structural Bioinformatics Analysis of the SARS-CoV Spike Protein and hACE2 Complex
err2022-01-26
err8
errOAAI
errKumawat, Nitesh; Tucs, Andrejs; Bera, Soumen; Chuev, Gennady N.; Valiev, Marat; Fedotova, Marina V.; Kruchinin, Sergey E.; Tsuda, Koji; Sljoka, Adnan; Chakraborty, Amit
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Renormalized site density functional theory for models of ion hydration
err2021-08-09
err7
PREAI
errChuev, Gennady N.; Fedotova, Marina V.; Valiev, Marat
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World of code: enabling a research workflow for mining and analyzing the universe of open source VCS data
err2021-02-25
err22
errOAAI
errMa, Yuxing; Dey, Tapajit; Bogart, Chris; Amreen, Sadika; Valiev, Marat; Tutko, Adam; Kennard, David; Zaretzki, Russell; Mockus, Audris
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NWChem: Past, present, and future
err2020-05-11
err543
errOAAI
errApra, E.; Bylaska, E. J.; de Jong, W. A.; Govind, N.; Kowalski, K.; Straatsma, T. P.; Valiev, M.; van Dam, H. J. J.; Alexeev, Y.; Anchell, J.; Anisimov, V; Aquino, F. W.; Atta-Fynn, R.; Autschbach, J.; Bauman, N. P.; Becca, J. C.; Bernholdt, D. E.; Bhaskaran-Nair, K.; Bogatko, S.; Borowski, P.; Boschen, J.; Brabec, J.; Bruner, A.; Cauet, E.; Chen, Y.; Chuev, G. N.; Cramer, C. J.; Daily, J.; Deegan, M. J. O.; Dunning, T. H., Jr.; Dupuis, M.; Dyall, K. G.; Fann, G., I; Fischer, S. A.; Fonari, A.; Fruechtl, H.; Gagliardi, L.; Garza, J.; Gawande, N.; Ghosh, S.; Glaesemann, K.; Goetz, A. W.; Hammond, J.; Helms, V; Hermes, E. D.; Hirao, K.; Hirata, S.; Jacquelin, M.; Jensen, L.; Johnson, B. G.; Jonsson, H.; Kendall, R. A.; Klemm, M.; Kobayashi, R.; Konkov, V; Krishnamoorthy, S.; Krishnan, M.; Lin, Z.; Lins, R. D.; Littlefield, R. J.; Logsdail, A. J.; Lopata, K.; Ma, W.; Marenich, A., V; del Campo, J. Martin; Mejia-Rodriguez, D.; Moore, J. E.; Mullin, J. M.; Nakajima, T.; Nascimento, D. R.; Nichols, J. A.; Nichols, P. J.; Nieplocha, J.; Otero-de-la-Roza, A.; Palmer, B.; Panyala, A.; Pirojsirikul, T.; Peng, B.; Peverati, R.; Pittner, J.; Pollack, L.; Richard, R. M.; Sadayappan, P.; Schatz, G. C.; Shelton, W. A.; Silverstein, D. W.; Smith, D. M. A.; Soares, T. A.; Song, D.; Swart, M.; Taylor, H. L.; Thomas, G. S.; Tipparaju, V; Truhlar, D. G.; Tsemekhman, K.; Van Voorhis, T.; Vazquez-Mayagoitia, A.; Verma, P.; Villa, O.; Vishnu, A.; Vogiatzis, K. D.; Wang, D.; Weare, J. H.; Williamson, M. J.; Windus, T. L.; Wolinski, K.; Wong, A. T.; Wu, Q.; Yang, C.; Yu, Q.; Zacharias, M.; Zhang, Z.; Zhao, Y.; Harrison, R. J.
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One-pot integrated biofuel production using low-cost biocompatible protic ionic liquids
err2017-01-01
err118
PREAI
errSun, Jian; Konda, N. V. S. N. Murthy; Parthasarathi, Ramakrishnan; Dutta, Tanmoy; Valiev, Marat; Xu, Feng; Simmons, Blake A.; Singh, Seema
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Probing microhydration effect on the electronic structure of the GFP chromophore anion: Photoelectron spectroscopy and theoretical investigations
err2015-12-08
err19
errOAAI
errBhaskaran-Nair, Kiran; Valiev, Marat; Deng, S. H. M.; Shelton, William A.; Kowalski, Karol; Wang, Xue-Bin
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Decomposition of amino diazeniumdiolates (NONOates): Molecular mechanisms
err2014-12-01
err15
errOAAI
errShaikh, Nizamuddin; Valiev, Marat; Lymar, Sergei V.
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Communication: Solute anisotropy effects in hydrated anion and neutral clusters
err2013-01-15
err23
errOAAI
errWen, Hui; Hou, Gao-Lei; Kathmann, Shawn M.; Valiev, Marat; Wang, Xue-Bin
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NWChem: scalable parallel computational chemistry
err2011-05-06
err32
PREAI
errvan Dam, H. J. J.; de Jong, W. A.; Bylaska, E.; Govind, N.; Kowalski, K.; Straatsma, T. P.; Valiev, M.
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NWChem: A comprehensive and scalable open-source solution for large scale molecular simulations
err2010-09-01
err3.7K
errOAAI
errValiev, M.; Bylaska, E. J.; Govind, N.; Kowalski, K.; Straatsma, T. P.; Van Dam, H. J. J.; Wang, D.; Nieplocha, J.; Apra, E.; Windus, T. L.; de Jong, Wa.
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