Marine E. Bozdaganyan

Часть публикаций из профиля, по году от новых к старым. Это не полный список последних работ автора; работы без года — в конце.

• Exploring tubulin-paclitaxel binding modes through extensive molecular dynamics simulations2025
• Computational evaluation and benchmark study of 342 crystallographic holo-structures of SARS-CoV-2 Mpro enzyme2024
• Colabind: A Cloud-Based Approach for Prediction of Binding Sites Using Coarse-Grained Simulations with Molecular Probes2024
• RECENT ADVANCEMENTS IN COARSE-GRAINED SIMULATIONS OF BIOMOLECULAR SYSTEMS2024
• Immune Escape Associated with RBD Omicron Mutations and SARS-CoV-2 Evolution Dynamics2022 · аннотациясвернуть

  The evolution and the emergence of new mutations of viruses affect their transmissibility and/or pathogenicity features, depending on different evolutionary scenarios of virus adaptation to the host. A typical trade-off…

• Mechanisms of Formation, Structure, and Dynamics of Lipoprotein Discs Stabilized by Amphiphilic Copolymers: A Comprehensive Review2022
• CPE-DB: An Open Database of Chemical Penetration Enhancers2021 · аннотациясвернуть

  The cutaneous delivery route currently accounts for almost 10% of all administered drugs and it is becoming more common. Chemical penetration enhancers (CPEs) increase the transport of drugs across skin layers by…

• Entangled Conditional Adversarial Autoencoder for de Novo Drug Discovery2018 · аннотациясвернуть

  Modern computational approaches and machine learning techniques accelerate the invention of new drugs. Generative models can discover novel molecular structures within hours, while conventional drug discovery pipelines…