User profiles for Maria Korshunova

Maria Korshunova

Deep Learning Scientist @ NVIDIA
Verified email at nvidia.com
Cited by 1720

[HTML][HTML] Generative and reinforcement learning approaches for the automated de novo design of bioactive compounds

M Korshunova, N Huang, S Capuzzi… - Communications …, 2022 - nature.com
Deep generative neural networks have been used increasingly in computational chemistry
for de novo design of molecules with desired properties. Many deep learning approaches …

[HTML][HTML] Treatment with HIF-1α antagonist PX-478 inhibits progression and spread of orthotopic human small cell lung cancer and lung adenocarcinoma in mice

JJ Jacoby, B Erez, MV Korshunova, RR Williams… - Journal of Thoracic …, 2010 - Elsevier
Introduction PX-478 is a potent small-molecule inhibitor of hypoxia-inducible factor 1α (HIF-1α).
In prior preclinical studies, it had antitumor activity against various solid tumors in …

OpenChem: a deep learning toolkit for computational chemistry and drug design

M Korshunova, B Ginsburg, A Tropsha… - Journal of Chemical …, 2021 - ACS Publications
Deep learning models have demonstrated outstanding results in many data-rich areas of
research, such as computer vision and natural language processing. Currently, there is a rise …

Combined MEK and VEGFR inhibition in orthotopic human lung cancer models results in enhanced inhibition of tumor angiogenesis, growth, and metastasis

…, BN Bekele, II Wistuba, JJ Jacoby, MV Korshunova… - Clinical Cancer …, 2012 - AACR
Purpose: Ras/Raf/mitogen-activated protein–extracellular signal-regulated kinase (ERK)
kinase (MEK)/ERK signaling is critical for tumor cell proliferation and survival. Selumetinib is a …

ProT-VAE: protein transformer variational autoencoder for functional protein design

…, P Srivastava, S Gayatri, D Hosfield, M Korshunova… - bioRxiv, 2023 - biorxiv.org
The data-driven design of protein sequences with desired function is challenged by the
absence of good theoretical models for the sequence-function mapping and the vast size of …

A bag of tricks for automated de novo design of molecules with the desired properties: application to EGFR inhibitor discovery

M Korshunova, N Huang, S Capuzzi, DS Radchenko… - 2021 - chemrxiv.org
Deep generative neural networks have been used increasingly in computational chemistry
for de novo design of molecules with desired properties. Many deep learning approaches …

[PDF][PDF] De novo design of new chemical entities with AI methods

M Korshunova - 2022 - kilthub.cmu.edu
This thesis describes novel deep generative neural networks and their applications for the
de novo design of molecules with optimized properties. It discusses the background and …

Addition of the HIF-1α inhibitor PX-478 enhances the therapeutic efficacy of EGFR inhibitors in an orthotopic human lung adenocarcinoma model

JJ Jacoby, B Erez, O Takahashi, MV Korshunova… - Cancer Research, 2010 - AACR
Introduction: Multiple studies demonstrate that EGFR signaling confers a survival advantage
under hypoxic conditions by inducing VEGF expression through HIF-1α dependent and …

[PDF][PDF] Lyric's pieces op. 65 by Edvard Grieg. Some personal reflections

M Korshunova - 2013 - bora.uib.no
In my view, the main goal of a true and honest musician is to try to understand the ways in
which the composer expresses himself, and the underneath idea of his musical piece; and …

Targeted therapy against VEGFR tyrosine kinase signaling by vandetanib inhibits tumor growth, angiogenesis, and progression in orthotopic human small cell lung …

K Furutani, R Komaki, M Korshunova, A Ryan… - Cancer Research, 2008 - AACR
2495 Introduction: Small cell lung cancer (SCLC) has a dismal prognosis even after aggressive
conventional therapy. We have developed two distinct orthotopic models of human SCLC…