| human | Q5 |
| P2456 | DBLP author ID | 14/4834-4 |
| P496 | ORCID iD | 0000-0001-9639-2907 |
| P3829 | Publons author ID | 2772854 |
| P1053 | ResearcherID | G-5320-2011 |
| P108 | employer | Westlake University | Q28416699 |
| P106 | occupation | researcher | Q1650915 |
| Q57810877 | A Comparison of QM/MM Simulations with and without the Drude Oscillator Model Based on Hydration Free Energies of Simple Solutes |
| Q47567527 | Absolute binding free energies for octa-acids and guests in SAMPL5 : Evaluating binding free energies for octa-acid and guest complexes in the SAMPL5 blind challenge. |
| Q47567557 | Absolute binding free energy calculations of CBClip host-guest systems in the SAMPL5 blind challenge. |
| Q28834286 | An Empirical Polarizable Force Field Based on the Classical Drude Oscillator Model: Development History and Recent Applications |
| Q37650589 | An Estimation of Hybrid Quantum Mechanical Molecular Mechanical Polarization Energies for Small Molecules Using Polarizable Force-Field Approaches. |
| Q30351917 | CHARMM36 all-atom additive protein force field: validation based on comparison to NMR data |
| Q40299880 | CHARMM36m: an improved force field for folded and intrinsically disordered proteins |
| Q57397675 | Calculating distribution coefficients based on multi-scale free energy simulations: an evaluation of MM and QM/MM explicit solvent simulations of water-cyclohexane transfer in the SAMPL5 challenge |
| Q44341109 | Conformational Heterogeneity of Intracellular Loop 3 of the μ-opioid G-protein Coupled Receptor |
| Q40985221 | Conformational Heterogeneity of the HIV Envelope Glycan Shield |
| Q96135435 | Cryo-EM structure of the human heteromeric amino acid transporter b0,+AT-rBAT |
| Q38527937 | DIRECT-ID: An automated method to identify and quantify conformational variations--application to β2 -adrenergic GPCR. |
| Q40828422 | Enhanced conformational sampling using replica exchange with concurrent solute scaling and hamiltonian biasing realized in one dimension. |
| Q40263451 | Explicit Hydrogen-Bond Potentials and Their Application to NMR Scalar Couplings in Proteins. |
| Q30358273 | Force Field for Peptides and Proteins based on the Classical Drude Oscillator |
| Q51599741 | Hydrogen-bond and solvent dynamics in transition metal complexes: a combined simulation and NMR-investigation. |
| Q36403825 | Induced Dipole-Dipole Interactions Influence the Unfolding Pathways of Wild-Type and Mutant Amyloid β-Peptides. |
| Q34080081 | Induction of peptide bond dipoles drives cooperative helix formation in the (AAQAA)3 peptide |
| Q58901060 | Infrared and Near-Infrared Spectroscopy of Acetylacetone and Hexafluoroacetylacetone |
| Q58901075 | Kinetic isotope effect in malonaldehyde determined from path integral Monte Carlo simulations |
| Q48166971 | Ligand self-assembling through complementary hydrogen-bonding in the coordination sphere of a transition metal center: the 6-diphenylphosphanylpyridin-2(1H)-one system. |
| Q113314842 | Machine-Learning-Assisted Free Energy Simulation of Solution-Phase and Enzyme Reactions |
| Q47309784 | Mapping the Drude polarizable force field onto a multipole and induced dipole model. |
| Q104611191 | Methylguanidinium at the Air/Water Interface: A Simulation Study with the Drude Polarizable Force Field |
| Q92787012 | Predicting partition coefficients of drug-like molecules in the SAMPL6 challenge with Drude polarizable force fields |
| Q27024746 | Recent Advances in Polarizable Force Fields for Macromolecules: Microsecond Simulations of Proteins Using the Classical Drude Oscillator Model |
| Q98577841 | Structural insights into the gating mechanism of human SLC26A9 mediated by its C-terminal sequence |
| Q37592397 | Structure of Penta-Alanine Investigated by Two-Dimensional Infrared Spectroscopy and Molecular Dynamics Simulation |
| Q28647950 | Structure-activity exploration of a small-molecule Lipid II inhibitor |
| Q28552923 | Towards Development of Small Molecule Lipid II Inhibitors as Novel Antibiotics |
| Q28534946 | Turning defense into offense: defensin mimetics as novel antibiotics targeting lipid II |
Search more.