Computational prediction of protein–protein binding affinities

Cited by (159)

Items 101–159 of 159

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32. Semi-Rational Design of L-Isoleucine Dioxygenase Generated Its Activity for Aromatic Amino Acid Hydroxylation
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34. Binding Affinity Estimation From Restrained Umbrella Sampling Simulations
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35. Predicting Ternary Complex Stability through Binding Free-Energy Calculations in the Geometric Route
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36. GroScore: Automated Scoring of Protein–Protein Interactions Using Bidirectional Steered Molecular Dynamics
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41. Retooling A Novel Influenza B Hemagglutinin to Redirect Neutralizing Antibodies Against B/Victoria Strains
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42. Point Substitution N33D in the Light Chain of Neutralizing Antibody REGN10987 Increases the Fab Affinity to RBD of Omicron BA.1 SARS-CoV-2 Variant. In Silico Study
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45. Molecular Docking and Molecular Dynamic Simulation of Squalene Nanoemulsion as an Antiviral Agent Targeting Coat Protein of Papaya Ring Spot Virus—P (PRSV-P) in Papaya
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47. Topology of molecular networks offers signaling insusceptibility to temperature and ionic strength changes
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50. Trends Assessment of the Genetic Mutation Induced Protein-Protein Interaction Variation via Protein Large Language Driven Method
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51. PackPPI: An integrated framework for protein–protein complex side‐chain packing and ΔΔG prediction based on diffusion model
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52. Structured Random Binding: a minimal model of protein-protein interactions
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54. Novel prediction methods for virtual drug screening
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55. Match_Motif: A rapid computational tool to assist in protein–protein interaction design
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56. Using wide biological pores to cap and contain the COVID-19 spike protein
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57. Investigation of Critical Binding Pattern in SARS-CoV-2 Spike Glycoprotein with Angiotensin-Converting Enzyme 2: An in Silico Analysis
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58. Design, synthesis and potent anticancer activity of novel hybrid molecules combining pyranopyrazole with fused tetrazolo-pyrimidine scaffolds
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59. A Generalized Meta-loss Function for Distillation Based Learning Using Privileged Information for Classification and Regression
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