U. Deva Priyakumar
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Impact of 2′‐hydroxyl sampling on the conformational properties of RNA: update of the CHARMM all‐atom additive force field for RNA
EJ Denning, UD Priyakumar, L Nilsson, AD Mackerell Jr
Journal of computational chemistry 32 (9), 1929-1943, 2011
MolGPT: Molecular Generation Using a Transformer-Decoder Model
V Bagal, R Aggarwal, PK Vinod, UD Priyakumar
Journal of Chemical Information and Modeling, 2022
Computational approaches for investigating base flipping in oligonucleotides
UD Priyakumar, AD MacKerell
Chemical reviews 106 (2), 489-505, 2006
A computational study of cation–π interactions in polycyclic systems: exploring the dependence on the curvature and electronic factors
UD Priyakumar, M Punnagai, GPK Mohan, GN Sastry
Tetrahedron 60 (13), 3037-3043, 2004
Machine learning based clinical decision support system for early COVID-19 mortality prediction
A Karthikeyan, A Garg, PK Vinod, UD Priyakumar
Frontiers in public health 9, 626697, 2021
Exploration of C6H6 Potential Energy Surface:  A Computational Effort to Unravel the Relative Stabilities and Synthetic Feasibility of New Benzene Isomers
TC Dinadayalane, UD Priyakumar, GN Sastry
The Journal of Physical Chemistry A 108 (51), 11433-11448, 2004
Cation-π interactions of curved polycyclic systems: M+ (M= Li and Na) ion complexation with buckybowls
UD Priyakumar, GN Sastry
Tetrahedron letters 44 (32), 6043-6046, 2003
First ab initio and density functional study on the structure, bowl-to-bowl inversion barrier, and vibrational spectra of the elusive C 3 v-Symmetric Buckybowl: Sumanene, C21H12
UD Priyakumar, GN Sastry
The Journal of Physical Chemistry A 105 (18), 4488-4494, 2001
Mmbert: Multimodal bert pretraining for improved medical vqa
Y Khare, V Bagal, M Mathew, A Devi, UD Priyakumar, CV Jawahar
2021 IEEE 18th International Symposium on Biomedical Imaging (ISBI), 1033-1036, 2021
Urea destabilizes RNA by forming stacking interactions and multiple hydrogen bonds with nucleic acid bases
UD Priyakumar, C Hyeon, D Thirumalai, AD MacKerell Jr
Journal of the American Chemical Society 131 (49), 17759-17761, 2009
Heterobuckybowls: A theoretical study on the structure, bowl-to-bowl inversion barrier, bond length alternation, structure-inversion barrier relationship, stability, and …
UD Priyakumar, GN Sastry
The Journal of organic chemistry 66 (20), 6523-6530, 2001
Role of the adenine ligand on the stabilization of the secondary and tertiary interactions in the adenine riboswitch
UD Priyakumar, AD MacKerell Jr
Journal of Molecular Biology 396 (5), 1422-1438, 2010
Base flipping in a GCGC containing DNA dodecamer: A comparative study of the performance of the nucleic acid force fields, CHARMM, AMBER, and BMS
UD Priyakumar, AD MacKerell
Journal of Chemical Theory and Computation 2 (1), 187-200, 2006
Deeppocket: ligand binding site detection and segmentation using 3d convolutional neural networks
R Aggarwal, A Gupta, V Chelur, CV Jawahar, UD Priyakumar
Journal of Chemical Information and Modeling, 2022
Solvent‐Induced Helical Assembly and Reversible Chiroptical Switching of Chiral Cyclic‐Dipeptide‐Functionalized Naphthalenediimides
S Manchineella, V Prathyusha, UD Priyakumar, T Govindaraju
Chemistry–A European Journal 19 (49), 16615-16624, 2013
Characterization of ERK docking domain inhibitors that induce apoptosis by targeting Rsk-1 and caspase-9
SR Boston, R Deshmukh, S Strome, UD Priyakumar, AD MacKerell, ...
BMC cancer 11, 1-12, 2011
Role of urea–aromatic stacking interactions in stabilizing the aromatic residues of the protein in urea-induced denatured state
S Goyal, A Chattopadhyay, K Kasavajhala, UD Priyakumar
Journal of the American Chemical Society 139 (42), 14931-14946, 2017
Host metabolic reprogramming in response to SARS-CoV-2 infection: A systems biology approach
STR Moolamalla, R Balasubramanian, R Chauhan, UD Priyakumar, ...
Microbial pathogenesis 158, 105114, 2021
Crenarchaeal chromatin proteins Cren7 and Sul7 compact DNA by inducing rigid bends
RPC Driessen, H Meng, G Suresh, R Shahapure, G Lanzani, ...
Nucleic acids research 41 (1), 196-205, 2013
A lipophilic hexaporphyrin assembly supported on a stannoxane core
V Chandrasekhar, S Nagendran, R Azhakar, MR Kumar, A Srinivasan, ...
Journal of the American Chemical Society 127 (8), 2410-2411, 2005
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