Showing 1 - 20 results of 20 for search 'Alexander D Mackerell', 查询时间: 0.06s Refine Results
  1. 1
    Characterizing structural transitions using localized free energy landscape analysis.

    Characterizing structural transitions using localized free energy landscape analysis. 由 Nilesh K Banavali, Alexander D Mackerell

    出版 2009-01-01
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  2. 2
    Computational fragment-based binding site identification by ligand competitive saturation.

    Computational fragment-based binding site identification by ligand competitive saturation. 由 Olgun Guvench, Alexander D MacKerell

    出版 2009-07-01
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  3. 3
    hERG Blockade Prediction by Combining Site Identification by Ligand Competitive Saturation and Physicochemical Properties

    hERG Blockade Prediction by Combining Site Identification by Ligand Competitive Saturation and Physicochemical Properties 由 Himanshu Goel, Wenbo Yu, Alexander D. MacKerell

    出版 2022-06-01
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  4. 4
    Exploring Druggable Binding Sites on the Class A GPCRs Using the Residue Interaction Network and Site Identification by Ligand Competitive Saturation

    Exploring Druggable Binding Sites on the Class A GPCRs Using the Residue Interaction Network and Site Identification by Ligand Competitive Saturation 由 Tugce Inan, Merve Yuce, Alexander D. MacKerell, Ozge Kurkcuoglu

    出版 2024-09-01
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  5. 5
    Characterization of Mg2+ Distributions around RNA in Solution

    Characterization of Mg2+ Distributions around RNA in Solution 由 Justin A. Lemkul, Sirish Kaushik Lakkaraju, Alexander D. MacKerell

    出版 2016-10-01
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  6. 6
    Impact of ribosomal modification on the binding of the antibiotic telithromycin using a combined grand canonical monte carlo/molecular dynamics simulation approach.

    Impact of ribosomal modification on the binding of the antibiotic telithromycin using a combined grand canonical monte carlo/molecular dynamics simulation approach. 由 Meagan C Small, Pedro Lopes, Rodrigo B Andrade, Alexander D Mackerell

    出版 2013-01-01
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  7. 7
    Discovery of beta-lactamase CMY-10 inhibitors for combination therapy against multi-drug resistant Enterobacteriaceae.

    Discovery of beta-lactamase CMY-10 inhibitors for combination therapy against multi-drug resistant Enterobacteriaceae. 由 Nousheen Parvaiz, Faisal Ahmad, Wenbo Yu, Alexander D MacKerell, Syed Sikander Azam

    出版 2021-01-01
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  8. 8
    Conformational Heterogeneity of the HIV Envelope Glycan Shield

    Conformational Heterogeneity of the HIV Envelope Glycan Shield 由 Mingjun Yang, Jing Huang, Raphael Simon, Lai-Xi Wang, Alexander D. MacKerell

    出版 2017-06-01
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  9. 9
    Characterization of Conformational Ensembles of Protonated N-glycans in the Gas-Phase

    Characterization of Conformational Ensembles of Protonated N-glycans in the Gas-Phase 由 Suyong Re, Shigehisa Watabe, Wataru Nishima, Eiro Muneyuki, Yoshiki Yamaguchi, Alexander D. MacKerell, Yuji Sugita

    出版 2018-01-01
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  10. 10
    Insights into substrate recognition and specificity for IgG by Endoglycosidase S2.

    Insights into substrate recognition and specificity for IgG by Endoglycosidase S2. 由 Asaminew H Aytenfisu, Daniel Deredge, Erik H Klontz, Jonathan Du, Eric J Sundberg, Alexander D MacKerell

    出版 2021-07-01
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  11. 11
    Specificity of Molecular Fragments Binding to S100B versus S100A1 as Identified by NMR and Site Identification by Ligand Competitive Saturation (SILCS)

    Specificity of Molecular Fragments Binding to S100B versus S100A1 as Identified by NMR and Site Identification by Ligand Competitive Saturation (SILCS) 由 Brianna D. Young, Wenbo Yu, Darex J. Vera Rodríguez, Kristen M. Varney, Alexander D. MacKerell, David J. Weber

    出版 2021-01-01
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  12. 12
    A Comparison of QM/MM Simulations with and without the Drude Oscillator Model Based on Hydration Free Energies of Simple Solutes

    A Comparison of QM/MM Simulations with and without the Drude Oscillator Model Based on Hydration Free Energies of Simple Solutes 由 Gerhard König, Frank C. Pickard, Jing Huang, Walter Thiel, Alexander D. MacKerell, Bernard R. Brooks, Darrin M. York

    出版 2018-10-01
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  13. 13
    Nitro-benzylideneoxymorphone, a bifunctional mu and delta opioid receptor ligand with high mu opioid receptor efficacy

    Nitro-benzylideneoxymorphone, a bifunctional mu and delta opioid receptor ligand with high mu opioid receptor efficacy 由 Keith M. Olson, Andrea L. Devereaux, Payal Chatterjee, Savanah L. Saldaña-Shumaker, Amanda Shafer, Adam Plotkin, Ram Kandasamy, Ram Kandasamy, Alexander D. MacKerell, John R. Traynor, John R. Traynor, Christopher W. Cunningham

    出版 2023-07-01
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  14. 14
    A small molecule agonist of EphA2 receptor tyrosine kinase inhibits tumor cell migration in vitro and prostate cancer metastasis in vivo.

    A small molecule agonist of EphA2 receptor tyrosine kinase inhibits tumor cell migration in vitro and prostate cancer metastasis in vivo. 由 Aaron Petty, Eugene Myshkin, Haina Qin, Hong Guo, Hui Miao, Gregory P Tochtrop, Jer-Tsong Hsieh, Phillip Page, Lili Liu, Daniel J Lindner, Chayan Acharya, Alexander D MacKerell, Eckhard Ficker, Jianxing Song, Bingcheng Wang

    出版 2012-01-01
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  15. 15
    Species-Specific Endotoxin Stimulus Determines Toll-Like Receptor 4- and Caspase 11-Mediated Pathway Activation Characteristics

    Species-Specific Endotoxin Stimulus Determines Toll-Like Receptor 4- and Caspase 11-Mediated Pathway Activation Characteristics 由 Orna Ernst, Mohd M. Khan, Benjamin L. Oyler, Sung Hwan Yoon, Jing Sun, Fang-Yu Lin, Nathan P. Manes, Alexander D. MacKerell, Iain D. C. Fraser, Robert K. Ernst, David R. Goodlett, Aleksandra Nita-Lazar

    出版 2021-08-01
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  16. 16
    Towards Development of Small Molecule Lipid II Inhibitors as Novel Antibiotics.

    Towards Development of Small Molecule Lipid II Inhibitors as Novel Antibiotics. 由 Jamal Chauhan, Steven Cardinale, Lei Fang, Jing Huang, Steven M Kwasny, M Ross Pennington, Kelly Basi, Robert diTargiani, Benedict R Capacio, Alexander D MacKerell, Timothy J Opperman, Steven Fletcher, Erik P H de Leeuw

    出版 2016-01-01
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  17. 17
    Turning defense into offense: defensin mimetics as novel antibiotics targeting lipid II.

    Turning defense into offense: defensin mimetics as novel antibiotics targeting lipid II. 由 Kristen M Varney, Alexandre M J J Bonvin, Marzena Pazgier, Jakob Malin, Wenbo Yu, Eugene Ateh, Taiji Oashi, Wuyuan Lu, Jing Huang, Marlies Diepeveen-de Buin, Joseph Bryant, Eefjan Breukink, Alexander D Mackerell, Erik P H de Leeuw

    出版 2013-01-01
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  18. 18
    Development of a glycoconjugate vaccine to prevent invasive Salmonella Typhimurium infections in sub-Saharan Africa.

    Development of a glycoconjugate vaccine to prevent invasive Salmonella Typhimurium infections in sub-Saharan Africa. 由 Scott M Baliban, Mingjun Yang, Girish Ramachandran, Brittany Curtis, Surekha Shridhar, Rachel S Laufer, Jin Y Wang, John Van Druff, Ellen E Higginson, Nicolas Hegerle, Kristen M Varney, James E Galen, Sharon M Tennant, Andrew Lees, Alexander D MacKerell, Myron M Levine, Raphael Simon

    出版 2017-04-01
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  19. 19
    A Hybrid Mechanism of Action for BCL6 in B Cells Defined by Formation of Functionally Distinct Complexes at Enhancers and Promoters

    A Hybrid Mechanism of Action for BCL6 in B Cells Defined by Formation of Functionally Distinct Complexes at Enhancers and Promoters 由 Katerina Hatzi, Yanwen Jiang, Chuanxin Huang, Francine Garrett-Bakelman, Micah D. Gearhart, Eugenia G. Giannopoulou, Paul Zumbo, Kevin Kirouac, Srividya Bhaskara, Jose M. Polo, Matthias Kormaksson, Alexander D. MacKerell, Jr., Fengtian Xue, Christopher E. Mason, Scott W. Hiebert, Gilbert G. Prive, Leandro Cerchietti, Vivian J. Bardwell, Olivier Elemento, Ari Melnick

    出版 2013-08-01
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  20. 20
    Dendritic Cell‐Mediated Cross‐Priming by a Bispecific Neutralizing Antibody Boosts Cytotoxic T Cell Responses and Protects Mice against SARS‐CoV‐2

    Dendritic Cell‐Mediated Cross‐Priming by a Bispecific Neutralizing Antibody Boosts Cytotoxic T Cell Responses and Protects Mice against SARS‐CoV‐2 由 Rodrigo Lázaro‐Gorines, Patricia Pérez, Ignacio Heras‐Murillo, Irene Adán‐Barrientos, Guillermo Albericio, David Astorgano, Sara Flores, Joanna Luczkowiak, Nuria Labiod, Seandean L. Harwood, Alejandro Segura‐Tudela, Laura Rubio‐Pérez, Yudhi Nugraha, Xiaoran Shang, Yuxing Li, Carlos Alfonso, Kaylin A. Adipietro, Dinendra L. Abeyawardhane, Rocío Navarro, Marta Compte, Wenbo Yu, Alexander D. MacKerell Jr, Laura Sanz, David J. Weber, Francisco J. Blanco, Mariano Esteban, Edwin Pozharski, Raquel Godoy‐Ruiz, Inés G. Muñoz, Rafael Delgado, David Sancho, Juan García‐Arriaza, Luis Álvarez‐Vallina

    出版 2023-12-01
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