화학공학소재연구정보센터
검색결과 : 60건
No. Article
1 Structural basis for transcriptional start site control of HIV-1 RNA fate
Brown JD, Kharytonchyk S, Chaudry I, Iyer AS, Carter H, Becker G, Desai Y, Glang L, Choi SH, Singh K, Lopresti MW, Orellana M, Rodriguez T, Oboh U, Hijji J, Ghinger FG, Stewart K, Francis D, Edwards B, Chen P, Case DA, Telesnitsky A, Summers MF
Science, 368(6489), 413, 2020
2 Predicting Site-Binding Modes of Ions and Water to Nucleic Acids Using Molecular Solvation Theory
Giambasu GM, Case DA, York DM
Journal of the American Chemical Society, 141(6), 2435, 2019
3 High-Resolution ENDOR Spectroscopy Combined with Quantum Chemical Calculations Reveals the Structure of Nitrogenase Janus Intermediate E-4(4H)
Hoeke V, Tociu L, Case DA, Seefeldt LC, Raugei S, Hoffman BM
Journal of the American Chemical Society, 141(30), 11984, 2019
4 High-Resolution ENDOR Spectroscopy Combined with Quantum Chemical Calculations Reveals the Structure of Nitrogenase Janus Intermediate E-4(4H) (vol 141, pg 11984, 2019)
Hoeke V, Tociu L, Case DA, Seefeldt LC, Raugei S, Hoffman BM
Journal of the American Chemical Society, 141(50), 19950, 2019
5 Chemical Shifts of the Carbohydrate Binding Domain of Galectin-3 from Magic Angle Spinning NMR and Hybrid Quantum Mechanics/Molecular Mechanics Calculations
Kraus J, Gupta R, Yehl J, Lu M, Case DA, Gronenborn AM, Akke M, Polenova T
Journal of Physical Chemistry B, 122(11), 2931, 2018
6 Resolving Ambiguous Protonation and Oxidation States in the Oxygen Evolving Complex of Photosystem II
Chen H, Dismukes GC, Case DA
Journal of Physical Chemistry B, 122(37), 8654, 2018
7 Reconciling Structural and Spectroscopic Fingerprints of the Oxygen-Evolving Complex of Photosystem II: A Computational Study of the S-2 State
Chen H, Case DA, Dismukes GC
Journal of Physical Chemistry B, 122(50), 11868, 2018
8 Advanced Potential Energy Surfaces for Molecular Simulation
Albaugh A, Boateng HA, Bradshaw RT, Demerdash ON, Dziedzic J, Mao YZ, Margul DT, Swails J, Zeng Q, Case DA, Eastman P, Wang LP, Essex JW, Head-Gordon M, Pande VS, Ponder JW, Shao YH, Skylaris CK, Todorov IT, Tuckerman ME, Head-Gordon T
Journal of Physical Chemistry B, 120(37), 9811, 2016
9 The Dependence of Carbohydrate-Aromatic Interaction Strengths on the Structure of the Carbohydrate
Hsu CH, Park S, Mortenson DE, Foley BL, Wang XC, Woods RJ, Case DA, Powers ET, Wong CH, Dyson HJ, Kelly JW
Journal of the American Chemical Society, 138(24), 7636, 2016
10 HIV-1 Capsid Function Is Regulated by Dynamics: Quantitative. Atomic-Resolution Insights by Integrating Magic-Angle-Spinning NMR, QM/MM, and MD
Zhang HL, Hou GJ, Lu MM, Ahn J, Byeon IJL, Langmead CJ, Perilla JR, Hung I, Gor'kov PL, Gan ZH, Brey WW, Case DA, Schulten K, Gronenborn AM, Polenova T
Journal of the American Chemical Society, 138(42), 14066, 2016