A Second Generation Force Field for the Simulation of Proteins, Nucleic Acids, and Organic Molecules

• Exploring Conformational Transitions of Adenine RNA Dimer via Machine Learning Potentials

  2026 Journal of Chemical Theory and Computation article Biochemistry, Genetics and Molecular Biology RNA and protein synthesis mechanisms Open access

  0

  citations
• Exploring Conformational Transitions of RNA Dimers via Machine Learning Potentials

  2026 bioRxiv (Cold Spring Harbor Laboratory) preprint Biochemistry, Genetics and Molecular Biology RNA and protein synthesis mechanisms Open access

  0

  citations
• Molecular properties of the RmlT wall teichoic acid rhamnosyltransferase that modulates virulence in Listeria monocytogenes

  2025 Nature Communications article Chemistry Carbohydrate Chemistry and Synthesis Open access

  9

  citations
• On the evolution of natural product biosynthesis

  2023 Advances in microbial physiology/Advances in Microbial Physiology book-chapter Medicine Microbial Natural Products and Biosynthesis Open access

  19

  citations
• Gain and loss of TASK3 channel function and its regulation by novel variation cause KCNK9 imprinting syndrome

  2022 Genome Medicine article Biochemistry, Genetics and Molecular Biology Ion channel regulation and function Open access

  25

  citations
• Multi-center decomposition of molecular densities: A mathematical perspective

  2022 The Journal of Chemical Physics article Physics and Astronomy Advanced Chemical Physics Studies Open access

  11

  citations
• Ligand Affinities within the Open-Boundary Molecular Mechanics/Coarse-Grained Framework (I): Alchemical Transformations within the Hamiltonian Adaptive Resolution Scheme

  2021 The Journal of Physical Chemistry B article Biochemistry, Genetics and Molecular Biology Protein Structure and Dynamics

  3

  citations
• Structural and mechanistic insight into spectral tuning in flavin-binding fluorescent proteins

  2021 bioRxiv (Cold Spring Harbor Laboratory) preprint Biochemistry, Genetics and Molecular Biology Advanced Fluorescence Microscopy Techniques Open access

  2

  citations
• The molecular basis of spectral tuning in blue- and red-shifted flavin-binding fluorescent proteins

  2021 Journal of Biological Chemistry article Biochemistry, Genetics and Molecular Biology Advanced Fluorescence Microscopy Techniques Open access

  29

  citations
• Molecular simulations of IDPs: From ensemble generation to IDP interactions leading to disorder-to-order transitions

  2021 Progress in molecular biology and translational science book-chapter Biochemistry, Genetics and Molecular Biology Protein Structure and Dynamics

  27

  citations
• Challenges in RNA Regulation in Huntington's Disease: Insights from Computational Studies

  2020 Israel Journal of Chemistry article Neuroscience Genetic Neurodegenerative Diseases Open access

  2

  citations
• Effects of Proline Substitutions on the Thermostable LOV Domain from Chloroflexus aggregans

  2020 Crystals article Neuroscience Photoreceptor and optogenetics research Open access

  23

  citations

12 results