Medvedev Lab Computational Structural Biology | Cancer Bioinformatics | Digital Pathology

Publications

To view a complete list of Dr. Medvedev’s publications, please visit Google Scholar

Selected publications

2025

Leveraging AI to explore structural contexts of post-translational modifications in drug binding
Leveraging AI to explore structural contexts of post-translational modifications in drug binding
Kirill E. Medvedev, R. Dustin Schaeffer, Nick V. Grishin
Journal of Cheminformatics  ·  04 May 2025  ·  10.1186/s13321-025-01019-y

2024

ECOD: integrating classifications of protein domains from experimental and predicted structures
ECOD: integrating classifications of protein domains from experimental and predicted structures
R Dustin Schaeffer, Kirill E Medvedev, Antonina Andreeva, Sara Rocio Chuguransky, Beatriz Lazaro Pinto, Jing Zhang, Qian Cong, Alex Bateman, Nick V Grishin
Nucleic Acids Research  ·  20 Nov 2024  ·  doi:10.1093/nar/gkae1029
scp DrugDomain scp : The evolutionary context of drugs and small molecules bound to domains
DrugDomain: The evolutionary context of drugs and small molecules bound to domains
Kirill E. Medvedev, R. Dustin Schaeffer, Nick V. Grishin
Protein Science  ·  09 Jul 2024  ·  doi:10.1002/pro.5116
Structure classification of the proteins from Salmonella enterica pangenome revealed novel potential pathogenicity islands
Structure classification of the proteins from Salmonella enterica pangenome revealed novel potential pathogenicity islands
Kirill E. Medvedev, Jing Zhang, R. Dustin Schaeffer, Lisa N. Kinch, Qian Cong, Nick V. Grishin
Scientific Reports  ·  28 May 2024  ·  doi:10.1038/s41598-024-60991-x
ECOD domain classification of 48 whole proteomes from AlphaFold Structure Database using DPAM2
ECOD domain classification of 48 whole proteomes from AlphaFold Structure Database using DPAM2
R. Dustin Schaeffer, Jing Zhang, Kirill E. Medvedev, Lisa N. Kinch, Qian Cong, Nick V. Grishin
PLOS Computational Biology  ·  28 Feb 2024  ·  doi:10.1371/journal.pcbi.1011586
Deep Learning for Subtypes Identification of Pure Seminoma of the Testis
Deep Learning for Subtypes Identification of Pure Seminoma of the Testis
Kirill E Medvedev, Paul H Acosta, Liwei Jia, Nick V Grishin
Clinical Pathology  ·  01 Jan 2024  ·  doi:10.1177/2632010X241232302

2023

Pan-cancer structurome reveals overrepresentation of beta sandwiches and underrepresentation of alpha helical domains
Pan-cancer structurome reveals overrepresentation of beta sandwiches and underrepresentation of alpha helical domains
Kirill E. Medvedev, R. Dustin Schaeffer, Kenneth S. Chen, Nick V. Grishin
Scientific Reports  ·  25 Jul 2023  ·  doi:10.1038/s41598-023-39273-5
Seminoma subtypes differ in the organization and functional state of the immune microenvironment
Seminoma subtypes differ in the organization and functional state of the immune microenvironment
Anna V. Savelyeva, Kirill E. Medvedev
3 Biotech  ·  01 Mar 2023  ·  doi:10.1007/s13205-023-03530-1

2022

Integrated Molecular Analysis Reveals 2 Distinct Subtypes of Pure Seminoma of the Testis
Integrated Molecular Analysis Reveals 2 Distinct Subtypes of Pure Seminoma of the Testis
Kirill E Medvedev, Anna V Savelyeva, Kenneth S Chen, Aditya Bagrodia, Liwei Jia, Nick V Grishin
Cancer Informatics  ·  01 Jan 2022  ·  doi:10.1177/11769351221132634

2021

A Fifth of the Protein World: Rossmann-like Proteins as an Evolutionarily Successful Structural unit
A Fifth of the Protein World: Rossmann-like Proteins as an Evolutionarily Successful Structural unit
Kirill E. Medvedev, Lisa N. Kinch, R. Dustin Schaeffer, Jimin Pei, Nick V. Grishin
Journal of Molecular Biology  ·  01 Feb 2021  ·  doi:10.1016/j.jmb.2020.166788

2019

Functional analysis of Rossmann-like domains reveals convergent evolution of topology and reaction pathways
Functional analysis of Rossmann-like domains reveals convergent evolution of topology and reaction pathways
Kirill E. Medvedev, Lisa N. Kinch, R. Dustin Schaeffer, Nick V. Grishin
PLOS Computational Biology  ·  23 Dec 2019  ·  doi:10.1371/journal.pcbi.1007569