| 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 | 374 | 2011 |
| MolGPT: Molecular Generation Using a Transformer-Decoder Model V Bagal, R Aggarwal, PK Vinod, UD Priyakumar Journal of Chemical Information and Modeling, 2022 | 125 | 2022 |
| Computational approaches for investigating base flipping in oligonucleotides UD Priyakumar, AD MacKerell Chemical reviews 106 (2), 489-505, 2006 | 111 | 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 | 106 | 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 | 95 | 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 | 93 | 2004 |
| 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 | 87 | 2001 |
| 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 | 86 | 2003 |
| 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 | 81 | 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 | 79 | 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 | 73 | 2021 |
| 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 | 68 | 2010 |
| 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 | 63 | 2013 |
| 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 | 63 | 2006 |
| 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 | 61 | 2011 |
| 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 | 58 | 2022 |
| 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 | 56 | 2021 |
| 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 | 56 | 2017 |
| 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 | 53 | 2005 |
| The design of molecules containing planar tetracoordinate carbon UD Priyakumar, AS Reddy, GN Sastry Tetrahedron letters 45 (12), 2495-2498, 2004 | 52 | 2004 |
G. Narahari SastryCSIR-NEISTVerified email at neist.res.in
