Defining a new nomenclature for the structures of active and inactive kinases V Modi, RL Dunbrack Jr Proceedings of the National Academy of Sciences 116 (14), 6818-6827, 2019 | 291 | 2019 |
Conformational analysis of the DFG-out kinase motif and biochemical profiling of structurally validated type II inhibitors RSK Vijayan, P He, V Modi, KC Duong-Ly, H Ma, JR Peterson, ... Journal of medicinal chemistry 58 (1), 466-479, 2015 | 226 | 2015 |
A structurally-validated multiple sequence alignment of 497 human protein kinase domains V Modi, RL Dunbrack Jr Scientific reports 9 (1), 19790, 2019 | 95 | 2019 |
Kincore: a web resource for structural classification of protein kinases and their inhibitors V Modi, RL Dunbrack Jr Nucleic acids research 50 (D1), D654-D664, 2022 | 65 | 2022 |
Assessment of refinement of template‐based models in CASP11 V Modi, RL Dunbrack Jr Proteins: Structure, Function, and Bioinformatics 84, 260-281, 2016 | 48 | 2016 |
Assessment of template‐based modeling of protein structure in CASP11 V Modi, Q Xu, S Adhikari, RL Dunbrack Jr Proteins: Structure, Function, and Bioinformatics 84, 200-220, 2016 | 40 | 2016 |
PDBe-KB: collaboratively defining the biological context of structural data Nucleic acids research 50 (D1), D534-D542, 2022 | 36 | 2022 |
Relationship between helix stability and binding affinities: molecular dynamics simulations of Bfl-1/A1-binding pro-apoptotic BH3 peptide helices in explicit solvent V Modi, D Lama, R Sankararamakrishnan Journal of Biomolecular Structure and Dynamics 31 (1), 65-77, 2013 | 19 | 2013 |
Behavior of Solvent-Exposed Hydrophobic Groove in the Anti-Apoptotic Bcl-XL Protein: Clues for Its Ability to Bind Diverse BH3 Ligands from MD Simulations D Lama, V Modi, R Sankararamakrishnan Plos one 8 (2), e54397, 2013 | 15 | 2013 |
Biological function derived from predicted structures in CASP11 PJ Huwe, Q Xu, MV Shapovalov, V Modi, MD Andrake, RL Dunbrack Jr Proteins: Structure, Function, and Bioinformatics 84, 370-391, 2016 | 14 | 2016 |
Binding affinity of pro-apoptotic BH3 peptides for the anti-apoptotic Mcl-1 and A1 proteins: Molecular dynamics simulations of Mcl-1 and A1 in complex with six different BH3 … V Modi, R Sankararamakrishnan Journal of Molecular Graphics and Modelling 73, 115-128, 2017 | 10 | 2017 |
Antiapoptotic Bcl‐2 homolog CED‐9 in Caenorhabditis elegans: Dynamics of BH3 and CED‐4 binding regions and comparison with mammalian antiapoptotic Bcl … V Modi, R Sankararamakrishnan Proteins: Structure, Function, and Bioinformatics 82 (6), 1035-1047, 2014 | 8 | 2014 |
Plasticity of BH3 domain-binding hydrophobic grooves in the anti-apoptotic Mcl-1 and A1 proteins V MODI, D LAMA, R SANKARARAMAKRISHNAN Biomolecular Forms and Functions: A Celebration of 50 Years of the …, 2013 | 3 | 2013 |
A Structurally Validated Sequence Alignment of All 497 Typical Human Protein Kinase Domains V Modi, RL Dunbrack Jr bioRxiv, 776740, 2019 | 2 | 2019 |
Clustering of the structures of protein kinase activation loops: A new nomenclature for active and inactive kinase structures V Modi, RL Dunbrack Jr bioRxiv, 395723, 2018 | 2 | 2018 |
Binding Affinity of Pro-apoptotic BH3 peptides for the V Modi, R Sankararamakrishnan prospects 111 (7), 3322-30, 2013 | | 2013 |
Differential Binding Affinities of Anti-Apoptotic MCL-1 and A1 Proteins for the Pro-Apoptotic BH3 Peptides: Understanding the Molecular Basis using MD Simulations V Modi, D Lama, R Sankararamakrishnan Biophysical Journal 100 (3), 396a, 2011 | | 2011 |