Artificial intelligence: machine learning for chemical sciences

por Karthikeyan, Akshaya, Priyakumar, U Deva
Publicado 2021

Modeling the structure of SARS 3a transmembrane protein using a minimum unfavorable contact approach

por RAMAKRISHNA, S, PADHI, SILADITYA, PRIYAKUMAR, U DEVA
Publicado 2015

MO-MEMES: A method for accelerating virtual screening using multi-objective Bayesian optimization

por Mehta, Sarvesh, Goel, Manan, Priyakumar, U. Deva
Publicado 2022

Structure-based drug repurposing: Traditional and advanced AI/ML-aided methods

por Choudhury, Chinmayee, Arul Murugan, N., Priyakumar, U. Deva
Publicado 2022

Molecular Dynamics Simulations Reveal the HIV-1 Vpu Transmembrane Protein to Form Stable Pentamers

por Padhi, Siladitya, Khan, Nabab, Jameel, Shahid, Priyakumar, U. Deva
Publicado 2013

Multiscale Modeling of Wobble to Watson–Crick-Like Guanine–Uracil Tautomerization Pathways in RNA

por Chandorkar, Shreya, Raghunathan, Shampa, Jaganade, Tanashree, Priyakumar, U. Deva
Publicado 2021

Atomistic Detailed Mechanism and Weak Cation-Conducting Activity of HIV-1 Vpu Revealed by Free Energy Calculations

por Padhi, Siladitya, Burri, Raghunadha Reddy, Jameel, Shahid, Priyakumar, U. Deva
Publicado 2014

Energetic, Structural and Dynamic Properties of Nucleobase-Urea Interactions that Aid in Urea Assisted RNA Unfolding

por Jaganade, Tanashree, Chattopadhyay, Aditya, Pazhayam, Nila M., Priyakumar, U. Deva
Publicado 2019

Machine Learning Based Clinical Decision Support System for Early COVID-19 Mortality Prediction

por Karthikeyan, Akshaya, Garg, Akshit, Vinod, P. K., Priyakumar, U. Deva
Publicado 2021

Latent Biases in Machine Learning Models for Predicting Binding Affinities Using Popular Data Sets

por Kanakala, Ganesh Chandan, Aggarwal, Rishal, Nayar, Divya, Priyakumar, U. Deva
Publicado 2023

PREHOST: Host prediction of coronaviridae family using machine learning

por Chaturvedi, Anusha, Borkar, Kushal, Priyakumar, U Deva, Vinod, P.K.
Publicado 2023

Streamlining pipeline efficiency: a novel model-agnostic technique for accelerating conditional generative and virtual screening pipelines

por Viswanathan, Karthik, Goel, Manan, Laghuvarapu, Siddhartha, Varma, Girish, Priyakumar, U. Deva
Publicado 2023

Enantioseparation and chiral induction in Ag(29) nanoclusters with intrinsic chirality

por Yoshida, Hiroto, Ehara, Masahiro, Priyakumar, U. Deva, Kawai, Tsuyoshi, Nakashima, Takuya
Publicado 2020

Mining subgraph coverage patterns from graph transactions

por Reddy, A. Srinivas, Reddy, P. Krishna, Mondal, Anirban, Priyakumar, U. Deva
Publicado 2021

Host metabolic reprogramming in response to SARS-CoV-2 infection: A systems biology approach

por Moolamalla, S.T.R., Balasubramanian, Rami, Chauhan, Ruchi, Priyakumar, U. Deva, Vinod, P.K.
Publicado 2021

MEMES: Machine learning framework for Enhanced MolEcular Screening

por Mehta, Sarvesh, Laghuvarapu, Siddhartha, Pathak, Yashaswi, Sethi, Aaftaab, Alvala, Mallika, Priyakumar, U. Deva
Publicado 2021

Sumoylation of Sir2 differentially regulates transcriptional silencing in yeast

por Hannan, Abdul, Abraham, Neethu Maria, Goyal, Siddharth, Jamir, Imlitoshi, Priyakumar, U. Deva, Mishra, Krishnaveni
Publicado 2015

Characterization of ERK Docking Domain Inhibitors that Induce Apoptosis by Targeting Rsk-1 and Caspase-9

por Boston, Sarice R, Deshmukh, Rahul, Strome, Scott, Priyakumar, U Deva, MacKerell, Alexander D, Shapiro, Paul
Publicado 2011

Crenarchaeal chromatin proteins Cren7 and Sul7 compact DNA by inducing rigid bends

por Driessen, Rosalie P. C., Meng, He, Suresh, Gorle, Shahapure, Rajesh, Lanzani, Giovanni, Priyakumar, U Deva, White, Malcolm F., Schiessel, Helmut, van Noort, John, Dame, Remus Th.
Publicado 2013

PLAS-5k: Dataset of Protein-Ligand Affinities from Molecular Dynamics for Machine Learning Applications

por Korlepara, Divya B., Vasavi, C. S., Jeurkar, Shruti, Pal, Pradeep Kumar, Roy, Subhajit, Mehta, Sarvesh, Sharma, Shubham, Kumar, Vishal, Muvva, Charuvaka, Sridharan, Bhuvanesh, Garg, Akshit, Modee, Rohit, Bhati, Agastya P., Nayar, Divya, Priyakumar, U. Deva
Publicado 2022