المؤلفون: Case, David A, Duke, Robert E, Walker, Ross C, Skrynnikov, Nikolai R, Cheatham III, Thomas E, Mikhailovskii, Oleg, Simmerling, Carlos, Xue, Yi, Roitberg, Adrian, Izmailov, Sergei A, Merz, Kenneth M, Kasavajhala, Koushik, Luo, Ray, Belfon, Kellon, Li, Pengfei, Shen, Jana, Darden, Thomas, Harris, Robert, Sagui, Celeste, Onufriev, Alexei, Pan, Feng, Izadi, Saeed, Wang, Junmei, Xiong, Yeyue, Roe, Daniel R, Xiongwu, Wu, LeGrand, Scott, Gohlke, Holger, Swails, Jason, Schott-Verdugo, Stephan, Götz, Andreas W, Qi, Ruxi, Smith, Jamie, Wei, Haixin, Cerutti, David, Zhao, Shiji, Lee, Taisung, King, Edward, Berryman, Josh, ET, ALIA

مصطلحات موضوعية: simulation, biomolecule, modeling, Physical, chemical, mathematical & earth Sciences, Physique, chimie, mathématiques & sciences de la terre

العلاقة: https://www.ambermd.orgTest; https://orbilu.uni.lu/handle/10993/52805Test; info:hdl:10993/52805

الإتاحة: https://orbilu.uni.lu/handle/10993/52805Test

المؤلفون: Duke, Robert E., Starovoytov, Oleg N., Piquemal, Jean-Philip, Cisneros, G. Andrés

المصدر: Journal of Chemical Theory and Computation ; volume 10, issue 4, page 1361-1365 ; ISSN 1549-9618 1549-9626

الإتاحة: https://doi.org/10.1021/ct500050pTest

المؤلفون: Chandrasekaran, Vasu, Lee, Chang Jun, Duke, Robert E., Perera, Lalith, Pedersen, Lee G.

المصدر: Protein Science ; volume 17, issue 8, page 1354-1361 ; ISSN 0961-8368 1469-896X

الإتاحة: https://doi.org/10.1110/ps.034801.108Test

المؤلفون: Duke, Robert E., Cisneros, G. Andrés

المساهمون: National Institute of General Medical Sciences

المصدر: Journal of Molecular Modeling ; volume 25, issue 10 ; ISSN 1610-2940 0948-5023

مصطلحات موضوعية: Computational Theory and Mathematics, Inorganic Chemistry, Organic Chemistry, Physical and Theoretical Chemistry, Computer Science Applications, Catalysis

الإتاحة: https://doi.org/10.1007/s00894-019-4194-1Test

المؤلفون: Dong Fang^1,2, Duke, Robert E.¹, Cisneros, G. Andrés¹ andres@chem.wayne.edu

المصدر: Journal of Chemical Physics. 2015, Vol. 143 Issue 4, p1-7. 7p. 3 Diagrams, 5 Charts, 1 Graph.

مصطلحات موضوعية: *ELECTROSTATICS, *QUANTUM mechanics, *PARTICLE interactions, *PROTON transfer reactions, *COMPARATIVE studies

المؤلفون: Kratz, Eric G., Duke, Robert E., Cisneros, G. Andrés

المساهمون: National Institutes of Health

المصدر: Theoretical Chemistry Accounts ; volume 135, issue 7 ; ISSN 1432-881X 1432-2234

مصطلحات موضوعية: Physical and Theoretical Chemistry

الإتاحة: https://doi.org/10.1007/s00214-016-1923-8Test

المؤلفون: Fang, Dong, Duke, Robert E., Cisneros, G. Andrés

المساهمون: National Institute of General Medical Sciences

المصدر: The Journal of Chemical Physics ; volume 143, issue 4 ; ISSN 0021-9606 1089-7690

الإتاحة: https://doi.org/10.1063/1.4926652Test

المؤلفون: Lee, Chang Jun, Chandrasekaran, Vasu, Wu, Sangwook, Duke, Robert E., Pedersen, Lee G.

المصدر: Thrombosis Research, 125(S1)

مصطلحات موضوعية: Protein Conformation, Thromboplastin, Molecular Conformation, Factor Xa, Computer Simulation, Epidermal Growth Factor, Models, Molecular, Algorithms, Protein Structure, Tertiary, Humans, Factor VIIa, 1-Carboxyglutamic Acid, stat, info

العلاقة: https://doi.org/10.17615/sqvy-5026Test

الإتاحة: https://doi.org/10.17615/sqvy-5026Test

المؤلفون: Cerutti, David S., Freddolino, Peter L., Duke, Robert E., Case, David A.

المصدر: The Journal of Physical Chemistry B ; volume 114, issue 40, page 12811-12824 ; ISSN 1520-6106 1520-5207

الإتاحة: https://doi.org/10.1021/jp105813jTest

المؤلفون: Jiao, Dian, Zhang, Jiajing, Duke, Robert E., Li, Guohui, Schnieders, Michael J., Ren, Pengyu

المصدر: Journal of Computational Chemistry, 30(11)

مصطلحات موضوعية: Animals, Computer Simulation, Benzamidines, Molecular Structure, Protein Binding, Models, Molecular, Trypsin, Cattle, Solvents, Hydrogen Bonding, Thermodynamics, Ligands

العلاقة: https://doi.org/10.17615/dj4t-jz49Test; https://cdr.lib.unc.edu/downloads/1r66j7626?file=thumbnailTest; https://cdr.lib.unc.edu/downloads/1r66j7626Test

الإتاحة: https://doi.org/10.17615/dj4t-jz49Test
https://cdr.lib.unc.edu/downloads/1r66j7626?file=thumbnailTest
https://cdr.lib.unc.edu/downloads/1r66j7626Test