155 results on '"Kokh, Daria B."'
Search Results
2. Oncologic Outcomes for Different Axillary Staging Techniques in Patients with Nodal-Positive Breast Cancer Undergoing Neoadjuvant Systematic Treatment: A Cancer Registry Study
3. Brownian Dynamics Simulations of Proteins in the Presence of Surfaces: Long-range Electrostatics and Mean-field Hydrodynamics
4. Ligand unbinding mechanisms and kinetics for T4 lysozyme mutants from tauRAMD simulations
5. Recent progress in molecular simulation methods for drug binding kinetics
6. Structure-kinetic relationship reveals the mechanism of selectivity of FAK inhibitors over PYK2
7. Use of chemotherapy and loco‐regional therapy in stage IA triple‐negative breast cancer and their association with oncologic outcomes: A cancer registry study.
8. Computational screening of the effects of mutations on protein-protein off-rates and dissociation mechanisms by τRAMD
9. New approaches for computing ligand–receptor binding kinetics
10. A community effort in SARS‐CoV‐2 drug discovery
11. Molecular Dynamics Simulations of the Human Ecto-5′-Nucleotidase (h-ecto-5′-NT, CD73): Insights into Protein Flexibility and Binding Site Dynamics
12. Kinetics for Drug Discovery: an industry-driven effort to target drug residence time
13. Dynathor: Dynamics of the Complex of Cytochrome P450 and Cytochrome P450 Reductase in a Phospholipid Bilayer
14. A community effort to discover small molecule SARS-CoV-2 inhibitors
15. A workflow for exploring ligand dissociation from a macromolecule: Efficient random acceleration molecular dynamics simulation and interaction fingerprint analysis of ligand trajectories.
16. Graphene BioFET sensors for SARS-CoV-2 detection: a multiscale simulation approach
17. Computational Approaches for Studying Drug Binding Kinetics
18. G Protein-Coupled Receptor–Ligand Dissociation Rates and Mechanisms from τRAMD Simulations
19. Contact Map Fingerprints of Protein–Ligand Unbinding Trajectories Reveal Mechanisms Determining Residence Times Computed from Scaled Molecular Dynamics
20. A Blueprint for High Affinity SARS-CoV-2 Mpro Inhibitors from Activity-Based Compound Library Screening Guided by Analysis of Protein Dynamics
21. Brownian Dynamics Simulations of Proteins in the Presence of Surfaces: Long-Range Electrostatics and Mean-Field Hydrodynamics
22. A Blueprint for High Affinity SARS-CoV-2 Mpro Inhibitors from Activity-Based Compound Library Screening Guided by Analysis of Protein Dynamics
23. Comprehensive Characterization of Ligand Unbinding Mechanisms and Kinetics for T4 Lysozyme Mutants
24. Theoretical study of the CH(sub 2) + O photodissociation of formaldehyde adsorbed on the Ag(111) surface
25. Trends in adsorption of open-shell atoms and small molecular fragments on the Ag(1 1 1) surface
26. Ligand unbinding mechanisms and kinetics for T4 lysozyme mutants from τRAMD simulations
27. A blueprint for high affinity SARS-CoV-2 Mpro inhibitors from activity-based compound library screening guided by analysis of protein dynamics
28. Recent progress in molecular simulation methods for drug binding kinetics
29. Druggability Assessment in TRAPP Using Machine Learning Approaches
30. Structure-Kinetic-Relationship Reveals the Mechanism of Selectivity of FAK Inhibitors Over PYK2
31. Druggability Assessment in TRAPP using Machine Learning Approaches
32. Machine Learning Analysis of τRAMD Trajectories to Decipher Molecular Determinants of Drug-Target Residence Times
33. HI photofragmentation revisited. Comment on 'probing excited electronics states using vibrationally mediated photolysis: Application to hydrogen iodide'
34. Estimation of Drug-Target Residence Times by τ-Random Acceleration Molecular Dynamics Simulations
35. Photodissociation of CH3Cl, C2H5Cl, and C6H5Cl on the Ag(111) surface: Ab initio embedded cluster and configuration interaction study.
36. Theoretical study of the UV photodissociation of Cl2: Potentials, transition moments, extinction coefficients, and Cl*/Cl branching ratio.
37. The lowest 1([sup 3]P[sub J]) and 2([sup 3]P[sub 2]) ion-pair states of ClF: Nonadiabatic effects and emission spectra.
38. TRAPP webserver: predicting protein binding site flexibility and detecting transient binding pockets
39. Perturbation Approaches for Exploring Protein Binding Site Flexibility to Predict Transient Binding Pockets
40. Protein Binding Pocket Dynamics
41. A community effort in SARS‐CoV‐2 drug discovery
42. Modeling and simulation of protein–surface interactions: achievements and challenges
43. When the Label Matters: Adsorption of Labeled and Unlabeled Proteins on Charged Surfaces
44. SDA 7: A modular and parallel implementation of the simulation of diffusional association software
45. TRAPP: A Tool for Analysis of Transient Binding Pockets in Proteins
46. Docking of Ubiquitin to Gold Nanoparticles
47. Receptor flexibility in small‐molecule docking calculations
48. A Quantitative, Real-Time Assessment of Binding of Peptides and Proteins to Gold Surfaces
49. ProMetCS: An Atomistic Force Field for Modeling Protein−Metal Surface Interactions in a Continuum Aqueous Solvent
50. Photodissociation of CH3Cl, C2H5Cl, and C6H5Cl on the Ag(111) surface:Ab initioembedded cluster and configuration interaction study
Catalog
Books, media, physical & digital resources
Discovery Service for Jio Institute Digital Library
For full access to our library's resources, please sign in.