These tools will no longer be maintained as of December 31, 2024. Archived website can be found here. PubMed4Hh GitHub repository can be found here. Contact NLM Customer Service if you have questions.


BIOMARKERS

Molecular Biopsy of Human Tumors

- a resource for Precision Medicine *

326 related articles for article (PubMed ID: 31136175)

  • 1. AMOEBA+ Classical Potential for Modeling Molecular Interactions.
    Liu C; Piquemal JP; Ren P
    J Chem Theory Comput; 2019 Jul; 15(7):4122-4139. PubMed ID: 31136175
    [TBL] [Abstract][Full Text] [Related]  

  • 2. An optimized charge penetration model for use with the AMOEBA force field.
    Rackers JA; Wang Q; Liu C; Piquemal JP; Ren P; Ponder JW
    Phys Chem Chem Phys; 2016 Dec; 19(1):276-291. PubMed ID: 27901142
    [TBL] [Abstract][Full Text] [Related]  

  • 3. Predicting and Understanding Non-Covalent Interactions Using Novel Forms of Symmetry-Adapted Perturbation Theory.
    Carter-Fenk K; Lao KU; Herbert JM
    Acc Chem Res; 2021 Oct; 54(19):3679-3690. PubMed ID: 34550669
    [TBL] [Abstract][Full Text] [Related]  

  • 4. Polarizable Water Potential Derived from a Model Electron Density.
    Rackers JA; Silva RR; Wang Z; Ponder JW
    J Chem Theory Comput; 2021 Nov; 17(11):7056-7084. PubMed ID: 34699197
    [TBL] [Abstract][Full Text] [Related]  

  • 5. Force field development phase II: Relaxation of physics-based criteria… or inclusion of more rigorous physics into the representation of molecular energetics.
    Hagler AT
    J Comput Aided Mol Des; 2019 Feb; 33(2):205-264. PubMed ID: 30506159
    [TBL] [Abstract][Full Text] [Related]  

  • 6. The Polarizable Atomic Multipole-based AMOEBA Force Field for Proteins.
    Shi Y; Xia Z; Zhang J; Best R; Wu C; Ponder JW; Ren P
    J Chem Theory Comput; 2013; 9(9):4046-4063. PubMed ID: 24163642
    [TBL] [Abstract][Full Text] [Related]  

  • 7. A Polarizable Atomic Multipole-Based Force Field for Molecular Dynamics Simulations of Anionic Lipids.
    Chu H; Peng X; Li Y; Zhang Y; Li G
    Molecules; 2017 Dec; 23(1):. PubMed ID: 29301229
    [TBL] [Abstract][Full Text] [Related]  

  • 8. Classical Pauli repulsion: An anisotropic, atomic multipole model.
    Rackers JA; Ponder JW
    J Chem Phys; 2019 Feb; 150(8):084104. PubMed ID: 30823770
    [TBL] [Abstract][Full Text] [Related]  

  • 9. Accurate Host-Guest Binding Free Energies Using the AMOEBA Polarizable Force Field.
    Chung MKJ; Miller RJ; Novak B; Wang Z; Ponder JW
    J Chem Inf Model; 2023 May; 63(9):2769-2782. PubMed ID: 37075788
    [TBL] [Abstract][Full Text] [Related]  

  • 10. Polarizable Atomic Multipole X-Ray Refinement: Particle Mesh Ewald Electrostatics for Macromolecular Crystals.
    Schnieders MJ; Fenn TD; Pande VS
    J Chem Theory Comput; 2011 Apr; 7(4):1141-56. PubMed ID: 26606362
    [TBL] [Abstract][Full Text] [Related]  

  • 11. Polarizable molecular dynamics simulation of Zn(II) in water using the AMOEBA force field.
    Wu JC; Piquemal JP; Chaudret R; Reinhardt P; Ren P
    J Chem Theory Comput; 2010 Jul; 6(7):2059-2070. PubMed ID: 21116445
    [TBL] [Abstract][Full Text] [Related]  

  • 12. Modeling Induction Phenomena in Intermolecular Interactions with an Ab Initio Force Field.
    Dehez F; Ángyán JG; Gutiérrez IS; Luque FJ; Schulten K; Chipot C
    J Chem Theory Comput; 2007 Nov; 3(6):1914-26. PubMed ID: 26636194
    [TBL] [Abstract][Full Text] [Related]  

  • 13. Efficient formulation of polarizable Gaussian multipole electrostatics for biomolecular simulations.
    Wei H; Qi R; Wang J; Cieplak P; Duan Y; Luo R
    J Chem Phys; 2020 Sep; 153(11):114116. PubMed ID: 32962395
    [TBL] [Abstract][Full Text] [Related]  

  • 14. Cation-π interactions: accurate intermolecular potential from symmetry-adapted perturbation theory.
    Ansorg K; Tafipolsky M; Engels B
    J Phys Chem B; 2013 Sep; 117(35):10093-102. PubMed ID: 23924321
    [TBL] [Abstract][Full Text] [Related]  

  • 15. Implementation of Geometry-Dependent Charge Flux into the Polarizable AMOEBA+ Potential.
    Liu C; Piquemal JP; Ren P
    J Phys Chem Lett; 2020 Jan; 11(2):419-426. PubMed ID: 31865706
    [TBL] [Abstract][Full Text] [Related]  

  • 16. Development of the Quantum-Inspired SIBFA Many-Body Polarizable Force Field: Enabling Condensed-Phase Molecular Dynamics Simulations.
    Naseem-Khan S; Lagardère L; Narth C; Cisneros GA; Ren P; Gresh N; Piquemal JP
    J Chem Theory Comput; 2022 Jun; 18(6):3607-3621. PubMed ID: 35575306
    [TBL] [Abstract][Full Text] [Related]  

  • 17. Polarizable atomic multipole-based force field for cholesterol.
    Li Y; Liu Y; Yang B; Li G; Chu H
    J Biomol Struct Dyn; 2023 Aug; ():1-11. PubMed ID: 37565356
    [TBL] [Abstract][Full Text] [Related]  

  • 18. Estimating and modeling charge transfer from the SAPT induction energy.
    Deng S; Wang Q; Ren P
    J Comput Chem; 2017 Oct; 38(26):2222-2231. PubMed ID: 28766729
    [TBL] [Abstract][Full Text] [Related]  

  • 19. Three-site and five-site fixed-charge water models compatible with AMOEBA force field.
    Pan C; Liu C; Peng J; Ren P; Huang X
    J Comput Chem; 2020 Apr; 41(10):1034-1044. PubMed ID: 31976572
    [TBL] [Abstract][Full Text] [Related]  

  • 20. Constant-pH Simulations with the Polarizable Atomic Multipole AMOEBA Force Field.
    Thiel AC; Speranza MJ; Jadhav S; Stevens LL; Unruh DK; Ren P; Ponder JW; Shen J; Schnieders MJ
    J Chem Theory Comput; 2024 Apr; 20(7):2921-2933. PubMed ID: 38507252
    [TBL] [Abstract][Full Text] [Related]  

    [Next]    [New Search]
    of 17.