U. Deva Priyakumar

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G. Narahari SastryIndian Institute of Technology HyderabadVerifierad e-postadress på neist.res.in
Alexander MacKerellGrollman Glick Professor of Pharmaceutical Sciences, University of Maryland, BaltimoreVerifierad e-postadress på rx.umaryland.edu
Siladitya PadhiScientist, TCS Innovation Labs, HyderabadVerifierad e-postadress på research.iiit.ac.in
Shampa RaghunathanAssistant Professor, Mahindra University, Hyderabad, IndiaVerifierad e-postadress på mahindrauniversity.edu.in
Yashaswi PathakUndergraduate Researcher, IIIT HyderabadVerifierad e-postadress på research.iiit.ac.in
Siddhartha LaghuvarapuUniversity of Illinois at Urbana ChampaignVerifierad e-postadress på illinois.edu
Suresh Gorle, PhDSenior Scientist at PharmCADD, Busan, South KoreaVerifierad e-postadress på pharmcadd.com
Sarvesh MehtaInternational Institute of Information Technology HyderabadVerifierad e-postadress på research.iiit.ac.in
Rishal AggarwalUniversity of PittsburghVerifierad e-postadress på pitt.edu
Vinod P.K.Associate Professor, CCNSB, IIIT HyderabadVerifierad e-postadress på iiit.ac.in
C. V. JawaharCVIT, IIIT Hyderabad, IndiaVerifierad e-postadress på iiit.ac.in
Prathyusha. VAssistant Professor, Sri Sathya Sai Institute of Higher LearningVerifierad e-postadress på sssihl.edu.in
Tandabany DinadayalaneProfessor of Chemistry, Clark Atlanta UniversityVerifierad e-postadress på icnanotox.org
Dr. Chinmayee ChoudhuryFaculty (Contractual), IISER, Mohali, IndiaVerifierad e-postadress på iisermohali.ac.in
Akshaya KarthikeyanResearch Assistant, IIIT HyderabadVerifierad e-postadress på research.iiit.ac.in
Tanashree JaganadeData Scientist at Corteva AgrisciencesVerifierad e-postadress på research.iiit.ac.in
Aditya ChattopadhyayJohns Hopkins UniversityVerifierad e-postadress på jh.edu
Sandhya RaiResearcher at Shell Technology Center, BengaluruVerifierad e-postadress på shell.com
Vadapalli ChandrasekharDepartment of Chemistry, Indian Institute of Technology, KanpurVerifierad e-postadress på iitk.ac.in
paul shapiroUniversity of MarylandVerifierad e-postadress på rx.umaryland.edu

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U. Deva Priyakumar

Professor, IIIT Hyderabad

Verifierad e-postadress på iiit.ac.in - Startsida

Computational Chemistry Drug Design Machine Learning for Chemistry AI for Healthcare


Titel Sortera efter citat Sortera efter år Sortera efter titel	Citeras av Citeras av	År
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	436	2011
MolGPT: Molecular Generation Using a Transformer-Decoder Model V Bagal, R Aggarwal, PK Vinod, UD Priyakumar Journal of Chemical Information and Modeling, 2022	364	2022
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	144	2021
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	136	2021
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	117	2004
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	116	2022
Computational approaches for investigating base flipping in oligonucleotides UD Priyakumar, AD MacKerell Chemical reviews 106 (2), 489-505, 2006	116	2006
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	100	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	90	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	89	2009
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	89	2001
Artificial intelligence: machine learning for chemical sciences A Karthikeyan, UD Priyakumar Journal of Chemical Sciences 134, 1-20, 2022	85	2022
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	84	2001
Structure-based drug repurposing: Traditional and advanced AI/ML-aided methods C Choudhury, NA Murugan, UD Priyakumar Drug discovery today 27 (7), 1847-1861, 2022	82	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	75	2013
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	71	2010
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	70	2021
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	68	2006
Molecular representations for machine learning applications in chemistry S Raghunathan, UD Priyakumar International Journal of Quantum Chemistry, e26870, 2022	67	2022
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	65	2017

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