يعرض 1 - 13 نتائج من 13 نتيجة بحث عن '"Durumeric, Aleksander E. P."', وقت الاستعلام: 0.57s تنقيح النتائج
  1. 1
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    Learning data efficient coarse-grained molecular dynamics from forces and noise

    المؤلفون: Durumeric, Aleksander E. P., Chen, Yaoyi, Noé, Frank, Clementi, Cecilia

    مصطلحات موضوعية: Physics - Biological Physics, Physics - Chemical Physics

    URL الوصول: http://arxiv.org/abs/2407.01286

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  2. 2
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    Navigating protein landscapes with a machine-learned transferable coarse-grained model

    المؤلفون: Charron, Nicholas E., Musil, Felix, Guljas, Andrea, Chen, Yaoyi, Bonneau, Klara, Pasos-Trejo, Aldo S., Venturin, Jacopo, Gusew, Daria, Zaporozhets, Iryna, Krämer, Andreas, Templeton, Clark, Kelkar, Atharva, Durumeric, Aleksander E. P., Olsson, Simon, Pérez, Adrià, Majewski, Maciej, Husic, Brooke E., Patel, Ankit, De Fabritiis, Gianni, Noé, Frank, Clementi, Cecilia

    مصطلحات موضوعية: Quantitative Biology - Biomolecules, Physics - Biological Physics, Physics - Chemical Physics, Statistics - Machine Learning

    URL الوصول: http://arxiv.org/abs/2310.18278

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  3. 3
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    Utilizing Machine Learning to Greatly Expand the Range and Accuracy of Bottom-Up Coarse-Grained Models Through Virtual Particles

    المؤلفون: Sahrmann, Patrick G., Loose, Timothy D., Durumeric, Aleksander E. P., Voth, Gregory A.

    مصطلحات موضوعية: Physics - Chemical Physics

    URL الوصول: http://arxiv.org/abs/2212.04530

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  4. 4
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    Adversarial-Residual-Coarse-Graining: Applying machine learning theory to systematic molecular coarse-graining

    المؤلفون: Durumeric, Aleksander E. P., Voth, Gregory A.

    المصدر: J. Chem. Phys. 151, 124110 (2019)

    مصطلحات موضوعية: Physics - Chemical Physics

    URL الوصول: http://arxiv.org/abs/1904.00871

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  5. 5
    Academic Journal
    OpenMSCG: A Software Tool for Bottom-Up Coarse-Graining

    المؤلفون: Peng, Yuxing, Pak, Alexander J., Durumeric, Aleksander E. P., Sahrmann, Patrick G., Mani, Sriramvignesh, Jin, Jaehyeok, Loose, Timothy D., Beiter, Jeriann, Voth, Gregory A.

    مصطلحات موضوعية: Alcohols, Computational chemistry, Interfaces, Mathematical methods, Software, ddc:540

    وصف الملف: 14 Seiten; application/pdf

    Relation: https://refubium.fu-berlin.de/handle/fub188/41473; http://dx.doi.org/10.17169/refubium-41195

    الاتاحة: https://refubium.fu-berlin.de/handle/fub188/41473
    https://doi.org/10.17169/refubium-41195
    https://doi.org/10.1021/acs.jpcb.3c04473

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  6. 6
    Academic Journal
    Utilizing Machine Learning to Greatly Expand the Range and Accuracy of Bottom-Up Coarse-Grained Models through Virtual Particles

    المؤلفون: Sahrmann, Patrick G., Loose, Timothy D., Durumeric, Aleksander E. P., Voth, Gregory A.

    المساهمون: Division of Chemistry, National Institute of General Medical Sciences

    المصدر: Journal of Chemical Theory and Computation ; volume 19, issue 14, page 4402-4413 ; ISSN 1549-9618 1549-9626

    الاتاحة: http://dx.doi.org/10.1021/acs.jctc.2c01183
    https://pubs.acs.org/doi/pdf/10.1021/acs.jctc.2c01183

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  7. 7
    Academic Journal
    Using classifiers to understand coarse-grained models and their fidelity with the underlying all-atom systems.

    المؤلفون: Durumeric, Aleksander E. P.1 (AUTHOR), Voth, Gregory A.1 (AUTHOR) gavoth@uchicago.edu

    المصدر: Journal of Chemical Physics. 6/21/2023, Vol. 158 Issue 23, p1-15. 15p.

    مصطلحات موضوعية: *INFORMATION scientists, *PROTEIN models, *MOLECULAR dynamics, *MODEL validation


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  8. 8
    Academic Journal
    Bottom-up Coarse-Graining: Principles and Perspectives

    المؤلفون: Jin, Jaehyeok, Pak, Alexander J., Durumeric, Aleksander E. P., Loose, Timothy D., Voth, Gregory A.

    المساهمون: Kwanjeong Educational Foundation, University of Chicago, National Institutes of Health, National Science Foundation

    المصدر: Journal of Chemical Theory and Computation ; volume 18, issue 10, page 5759-5791 ; ISSN 1549-9618 1549-9626

    الاتاحة: http://dx.doi.org/10.1021/acs.jctc.2c00643
    https://pubs.acs.org/doi/pdf/10.1021/acs.jctc.2c00643

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  9. 9
    Academic Journal
    Immature HIV-1 lattice assembly dynamics are regulated by scaffolding from nucleic acid and the plasma membrane

    المؤلفون: Pak, Alexander J., Grime, John M. A., Sengupta, Prabuddha, Chen, Antony K., Durumeric, Aleksander E. P., Srivastava, Anand, Yeager, Mark, Briggs, John A. G., Lippincott-Schwartz, Jennifer, Voth, Gregory A.

    المصدر: Proceedings of the National Academy of Sciences of the United States of America, 2017 Nov . 114(47), E10056-E10065.

    URL الوصول: https://www.jstor.org/stable/26485630

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  10. 10
    Academic Journal
    Improving the accuracy and convergence of drug permeation simulations via machine-learned collective variables.

    المؤلفون: Aydin, Fikret1 (AUTHOR), Durumeric, Aleksander E. P.2 (AUTHOR), da Hora, Gabriel C. A.3 (AUTHOR), Nguyen, John D. M.3 (AUTHOR), Oh, Myong In3 (AUTHOR), Swanson, Jessica M. J.3 (AUTHOR) j.swanson@utah.edu

    المصدر: Journal of Chemical Physics. 7/28/2021, Vol. 155 Issue 4, p1-11. 11p.

    مصطلحات موضوعية: *MOLECULAR dynamics, *TARGETED drug delivery, *INDEPENDENT component analysis, *CELL membranes, *ANTIBIOTICS, *ACTIVATION energy


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  11. 11
    Academic Journal
    Statistically Optimal Force Aggregation for Coarse-Graining Molecular Dynamics

    المؤلفون: Krämer, Andreas, Durumeric, Aleksander E. P., Charron, Nicholas E., Chen, Yaoyi, Clementi, Cecilia, Noé, Frank

    المساهمون: Division of Chemistry, Bundesministerium f?r Bildung und Forschung, Directorate for Mathematical and Physical Sciences, Deutsche Forschungsgemeinschaft, Einstein Stiftung Berlin, H2020 European Research Council, Berlin Mathematics Research Center MATH+, International Max Planck Research School for Biology and Computation

    المصدر: The Journal of Physical Chemistry Letters ; volume 14, issue 17, page 3970-3979 ; ISSN 1948-7185 1948-7185

    الاتاحة: http://dx.doi.org/10.1021/acs.jpclett.3c00444
    https://pubs.acs.org/doi/pdf/10.1021/acs.jpclett.3c00444

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  12. 12
    Academic Journal
    Compatible observable decompositions for coarse-grained representations of real molecular systems.

    المؤلفون: Dannenhoffer-Lafage, Thomas, Wagner, Jacob W., Durumeric, Aleksander E. P., Voth, Gregory A.

    المصدر: Journal of Chemical Physics; 10/7/2019, Vol. 151 Issue 13, pN.PAG-N.PAG, 14p, 3 Charts, 10 Graphs

    مصطلحات موضوعية: POTENTIAL energy, ENTROPY


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  13. 13
    Academic Journal
    On the representability problem and the physical meaning of coarse-grained models.

    المؤلفون: Wagner, Jacob W., Dama, James F., Durumeric, Aleksander E. P., Voth, Gregory A.

    المصدر: Journal of Chemical Physics; 2016, Vol. 145 Issue 4, p1-12, 12p, 2 Diagrams, 3 Charts

    مصطلحات موضوعية: GRAINING, SIMULATION methods & models, SURFACE tension, PRESSURE, THERMODYNAMICS


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