All-Atom Empirical Potential for Molecular Modeling and Dynamics Studies of Proteins

• Histidine Ethylation by Histidine Methyltransferases SETD3 and METTL9

  2026 ChemBioChem article Biochemistry, Genetics and Molecular Biology Cancer-related gene regulation Open access

  1

  citations
• pH-dependent structural dynamics of neuropeptide Y in aqueous solution

  2026 PLoS ONE article Biochemistry, Genetics and Molecular Biology Protein Structure and Dynamics Open access

  0

  citations
• Theta-Defensin Proteins: Conformational Variability and Environmental Effects

  2026 Computational and Structural Biotechnology Journal article Immunology and Microbiology Antimicrobial Peptides and Activities Open access

  0

  citations
• SAAP‐148 Oligomerizes into a Hexamer Forming a Hydrophobic Inner Core

  2025 ChemBioChem article Immunology and Microbiology Antimicrobial Peptides and Activities Open access

  3

  citations
• pH-dependent structural dynamics of the neuropeptide Y in aqueous solution

  2024 bioRxiv (Cold Spring Harbor Laboratory) preprint Biochemistry, Genetics and Molecular Biology Protein Structure and Dynamics Open access

  0

  citations
• Hydrogen-Bonding and Hydrophobic Interaction Networks as Structural Determinants of Microbial Rhodopsin Function

  2024 The Journal of Physical Chemistry B article Neuroscience Photoreceptor and optogenetics research

  8

  citations
• Free energies at QM accuracy from force fields via multimap targeted estimation

  2023 Proceedings of the National Academy of Sciences article Computer Science Computational Drug Discovery Methods Open access

  19

  citations
• Multimap targeted free energy estimation

  2023 arXiv (Cornell University) preprint Computer Science Computational Drug Discovery Methods Open access

  3

  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
• Enhancing the population of the encounter complex affects protein complex formation efficiency

  2021 FEBS Journal article Biochemistry, Genetics and Molecular Biology Protein Structure and Dynamics Open access

  0

  citations
• Molecular model of a sensor of two-component signaling system

  2021 Scientific Reports article Neuroscience Photoreceptor and optogenetics research Open access

  24

  citations
• The Charge Distribution on a Protein Surface Determines Whether Productive or Futile Encounter Complexes Are Formed

  2021 Biochemistry article Biochemistry, Genetics and Molecular Biology Protein Structure and Dynamics Open access

  12

  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
• Supplementary material to "Analysis of the electronic asymmetry of the primary electron donor of photosystem I of Spirodela oligorrhiza by photo-CIDNP solid-state NMR"

  2020 supplementary-materials Chemistry Advanced NMR Techniques and Applications Open access

  0

  citations

14 results