All Stories

  1. pH-Responsive glyphosate adsorption on hydroxylated carbon nanotubes: From electronic structure to molecular dynamics
  2. Adsorption behavior of greenhouse gases on carbon nanobelts: A semi-empirical tight-binding approach for environmental application
  3. Structural basis of the tarocystatin inhibitory mechanism against papain
  4. Integrated computational biophysics approach for drug discovery against Nipah virus
  5. Molecular Docking in Drug Discovery: Techniques, Applications, and Advancements
  6. Exploring the potential of boron-nitride nanobelts in environmental applications: Greenhouse gases capture
  7. Molecular Docking in Drug Discovery: Techniques, Applications, and Advancements
  8. Electronic and structural properties of Möbius boron-nitride and carbon nanobelts
  9. Möbius carbon nanobelts interacting with heavy metal nanoclusters
  10. Möbius boron–nitride nanobelts interacting with heavy metal nanoclusters
  11. Attacking the SARS-CoV-2 Replication Machinery with the Pathogen Box’s Molecules
  12. Subtractive sequence analysis aided druggable targets mining in Burkholderia cepacia complex and finding inhibitors through bioinformatics approach
  13. Targeting notch signaling pathway in breast cancer stem cells through drug repurposing approach
  14. Functionalized boron–nitride nanotubes: First-principles calculations
  15. The Construction of the Tower of Pisa as a Basis for Problem-Solving in the Exact Sciences and the Use of Interdisciplinarity in Teaching
  16. First-principles calculations of nickel, cadmium, and lead nanoclusters adsorption on single-wall (10,0) boron-nitride nanotube
  17. Glycosylation as a key for enhancing drug recognition into spike glycoprotein of SARS-CoV-2
  18. An international assessment of the adoption of enhanced recovery after surgery (ERAS®) principles across colorectal units in 2019–2020
  19. Natural Resources for Human Health: A New Interdisciplinary Journal Dedicated to Natural Sciences
  20. Repurposing potential of Ayurvedic medicinal plants derived active principles against SARS-CoV-2 associated target proteins revealed by molecular docking, molecular dynamics and MM-PBSA studies
  21. Camu-camu (Myrciaria dubia) seeds as a novel source of bioactive compounds with promising antimalarial and antischistosomicidal properties
  22. Attacking the SARS-CoV-2 Replication Machinery with the Pathogen Box’s Molecules
  23. Natural Products as Potential Inhibitors for SARS-CoV-2 Papain-Like Protease: An in Silico Study
  24. Novel multi-epitope protein containing conserved epitopes from different Leishmania species as potential vaccine candidate: Integrated immunoinformatics and molecular dynamics approach
  25. Búsqueda de fármacos, por técnicas de detección virtual, contra virus emergentes.
  26. Dynamics of hydroxyapatite and carbon nanotubes interaction
  27. PQM130, a Novel Feruloyl–Donepezil Hybrid Compound, Effectively Ameliorates the Cognitive Impairments and Pathology in a Mouse Model of Alzheimer’s Disease
  28. Symmetrical and unsymmetrical substituted 2,5-diarylidene cyclohexanones as anti-parasitic compounds
  29. Corrigendum to “The addition of inulin and Lactobacillus casei 01 in sheep milk ice cream” [Food Chem. 246 (2018) 464–472]
  30. Synthesis, activity, and docking studies of eugenol-based glucosides as new agents against Candida sp.
  31. In silico development of new acetylcholinesterase inhibitors
  32. The addition of inulin and Lactobacillus casei 01 in sheep milk ice cream
  33. Computational Approach to the Discovery of Phytochemical Molecules with Therapeutic Potential Targets to the PKCZ protein
  34. Design, synthesis and pharmacological evaluation of N -benzyl-piperidinyl-aryl-acylhydrazone derivatives as donepezil hybrids: Discovery of novel multi-target anti-alzheimer prototype drug candidates
  35. Effects of surface functionalization on the electronic and structural properties of carbon nanotubes: A computational approach
  36. Influence of Carbon Nanotubes in Nano-carboapatite
  37. Lattice dynamics of carbon nanotube interacting with hydroxyapatite
  38. Synthesis, characterization and theoretical study in gaseous and solid phases of the imine 4-Acetyl- N -(4-methoxybenzylidene)aniline
  39. Electronic properties of disordered functionalized carbon nanotubes
  40. Computer aidded design of new inhibitors of acetylcholinesterase.
  41. Design, Synthesis, Biological Evaluation and Molecular Modeling Studies of Novel Eugenol Esters as Leishmanicidal Agents
  42. Order–disorder phase transition induced by proton transfer in a co-crystal of 2,4-dichlorobenzoic acid and trimethylamine N-oxide
  43. De Novo Design of New Inhibitor of Mutated Tyrosine-Kinase for the Myeloid Leukemia Treatment
  44. β-Galactosidase - Excipients Interaction by Docking Simulation Studies
  45. In silico development of new acetylcholinesterase inhibitors
  46. In Silico Design of New Drugs for Myeloid Leukemia Treatment
  47. Exploring the System Lanthanide/Succinate in the Formation of Porous Metal–Organic Frameworks: Experimental and Theoretical Study
  48. Morelloflavone and its semisynthetic derivatives as potential novel inhibitors of cysteine and serine proteases
  49. First-principles calculations of nickel, cadmium, and lead adsorption on a single-walled (10,0) carbon nanotube
  50. Interactions of lead with carboxyl and hydroxyl-decorated(10, 0) single-walled carbon nanotubes: First-principle calculations
  51. Mangiferin binding to serum albumin is non-saturable and induces conformational changes at high concentrations
  52. Elastic and optical properties of Cu2ZnSn(SexS1 −x)4alloys: density functional calculations
  53. Inhibition of cysteine proteases by a natural biflavone: behavioral evaluation of fukugetin as papain and cruzain inhibitor
  54. Semisynthesis and antimicrobial activity of novel guttiferone-A derivatives
  55. Structural Bioinformatics Approach of Cyclin-Dependent Kinases 1 and 3 Complexed with Inhibitors
  56. Natural polyprenylated benzophenones inhibiting cysteine and serine proteases
  57. Crystal Structure of Garciniaphenone and Evidences on the Relationship between Keto-Enol Tautomerism and Configuration
  58. Dispersion of confined optical phonons in semiconductor nanowires in the framework of a continuum approach
  59. Confined polar optical phonons in semiconductor double heterostructures: an improved continuum approach
  60. Electric-field inversion asymmetry: Rashba and Stark effects for holes in resonant tunneling devices
  61. The temperature dependence of electrical and optical properties in InAs/GaAs and GaAs/InAs/AlAs self-assembled quantum dots
  62. Influence of minority carrier transport in the optical properties of double barrier diodes
  63. Voltage-controlled hole spin injection in nonmagneticGaAs∕AlAsresonant tunneling structures
  64. Negative charged excitons in double barrier diodes
  65. The dynamics of excitons and trions in resonant tunneling diodes
  66. Charge buildup effects in asymmetric p-type resonant tunneling diodes
  67. Kinetics of excitonic complexes on tunneling devices
  68. Trion Assisted Tunneling In Double Barrier Diodes
  69. Photocurrent and photoluminescence studies of resonant tunneling diodes
  70. Efficiencies in multiquantum well lasers
  71. The coherence of the AlGaAs–GaAs phonon laser
  72. GaAs − Al x Ga 1 − x As double-barrier heterostructure phonon laser: A full quantum treatment
  73. The operation threshold of a double barrier phonon laser
  74. A double-barrier heterostructure generator of terahertz phonons: many-body effects
  75. A quantum formalism for a terahertz acoustic laser
  76. Calculation of the thermal resistance and temperature distribution in blue - green semiconductor lasers
  77. Cavity length dependence of the peak conversion efficiency in AlGaAs lasers