MO-MEMES: A method for accelerating virtual screening using multi-objective Bayesian optimization by Sarvesh Mehta, Manan Goel, U. Deva Priyakumar

Get full text

Stereomutation in Tetracoordinate Centers via Stabilization of Planar Tetracoordinated Systems by Komal Yadav, Upakarasamy Lourderaj, U. Deva Priyakumar

Get full text

MeGen - generation of gallium metal clusters using reinforcement learning by Rohit Modee, Ashwini Verma, Kavita Joshi, U Deva Priyakumar

Get full text

Molecular dynamics simulations reveal the HIV-1 Vpu transmembrane protein to form stable pentamers. by Siladitya Padhi, Nabab Khan, Shahid Jameel, U Deva Priyakumar

Get full text

Machine Learning Based Clinical Decision Support System for Early COVID-19 Mortality Prediction by Akshaya Karthikeyan, Akshit Garg, P. K. Vinod, U. Deva Priyakumar

Get full text

PREHOST: Host prediction of coronaviridae family using machine learning by Anusha Chaturvedi, Kushal Borkar, U Deva Priyakumar, P.K. Vinod

Get full text

Streamlining pipeline efficiency: a novel model-agnostic technique for accelerating conditional generative and virtual screening pipelines by Karthik Viswanathan, Manan Goel, Siddhartha Laghuvarapu, Girish Varma, U. Deva Priyakumar

Get full text

PLAS-5k: Dataset of Protein-Ligand Affinities from Molecular Dynamics for Machine Learning Applications by Divya B. Korlepara, C. S. Vasavi, Shruti Jeurkar, Pradeep Kumar Pal, Subhajit Roy, Sarvesh Mehta, Shubham Sharma, Vishal Kumar, Charuvaka Muvva, Bhuvanesh Sridharan, Akshit Garg, Rohit Modee, Agastya P. Bhati, Divya Nayar, U. Deva Priyakumar

Get full text

Author Correction: PLAS-20k: Extended Dataset of Protein-Ligand Affinities from MD Simulations for Machine Learning Applications by Divya B. Korlepara, C. S. Vasavi, Rakesh Srivastava, Pradeep Kumar Pal, Saalim H. Raza, Vishal Kumar, Shivam Pandit, Aathira G. Nair, Sanjana Pandey, Shubham Sharma, Shruti Jeurkar, Kavita Thakran, Reena Jaglan, Shivangi Verma, Indhu Ramachandran, Prathit Chatterjee, Divya Nayar, U. Deva Priyakumar

Get full text

PLAS-20k: Extended Dataset of Protein-Ligand Affinities from MD Simulations for Machine Learning Applications by Divya B. Korlepara, Vasavi C. S., Rakesh Srivastava, Pradeep Kumar Pal, Saalim H. Raza, Vishal Kumar, Shivam Pandit, Aathira G. Nair, Sanjana Pandey, Shubham Sharma, Shruti Jeurkar, Kavita Thakran, Reena Jaglan, Shivangi Verma, Indhu Ramachandran, Prathit Chatterjee, Divya Nayar, U. Deva Priyakumar

Get full text

Molecular Property Diagnostic Suite for COVID-19 (MPDSCOVID-19): an open-source disease-specific drug discovery portal by Lipsa Priyadarsinee, Esther Jamir, Selvaraman Nagamani, Hridoy Jyoti Mahanta, Nandan Kumar, Lijo John, Himakshi Sarma, Asheesh Kumar, Anamika Singh Gaur, Rosaleen Sahoo, S. Vaikundamani, N. Arul Murugan, U. Deva Priyakumar, G. P. S. Raghava, Prasad V. Bharatam, Ramakrishnan Parthasarathi, V. Subramanian, G. Madhavi Sastry, G. Narahari Sastry

Get full text

Clinico-Genomic Analysis Reveals Mutations Associated with COVID-19 Disease Severity: Possible Modulation by RNA Structure by Priyanka Mehta, Shanmukh Alle, Anusha Chaturvedi, Aparna Swaminathan, Sheeba Saifi, Ranjeet Maurya, Partha Chattopadhyay, Priti Devi, Ruchi Chauhan, Akshay Kanakan, Janani Srinivasa Vasudevan, Ramanathan Sethuraman, Subramanian Chidambaram, Mashrin Srivastava, Avinash Chakravarthi, Johnny Jacob, Madhuri Namagiri, Varma Konala, Sujeet Jha, U. Deva Priyakumar, P. K. Vinod, Rajesh Pandey

Get full text

COVID-19 Risk Stratification and Mortality Prediction in Hospitalized Indian Patients: Harnessing clinical data for public health benefits by Shanmukh Alle, Akshay Kanakan, Samreen Siddiqui, Akshit Garg, Akshaya Karthikeyan, Priyanka Mehta, Neha Mishra, Partha Chattopadhyay, Priti Devi, Swati Waghdhare, Akansha Tyagi, Bansidhar Tarai, Pranjal Pratim Hazarik, Poonam Das, Sandeep Budhiraja, Vivek Nangia, Arun Dewan, Ramanathan Sethuraman, C. Subramanian, Mashrin Srivastava, Avinash Chakravarthi, Johnny Jacob, Madhuri Namagiri, Varma Konala, Debasish Dash, Tavpritesh Sethi, Sujeet Jha, Anurag Agrawal, Rajesh Pandey, P. K. Vinod, U. Deva Priyakumar

Get full text

COVID-19 Risk Stratification and Mortality Prediction in Hospitalized Indian Patients: Harnessing clinical data for public health benefits. by Shanmukh Alle, Akshay Kanakan, Samreen Siddiqui, Akshit Garg, Akshaya Karthikeyan, Priyanka Mehta, Neha Mishra, Partha Chattopadhyay, Priti Devi, Swati Waghdhare, Akansha Tyagi, Bansidhar Tarai, Pranjal Pratim Hazarik, Poonam Das, Sandeep Budhiraja, Vivek Nangia, Arun Dewan, Ramanathan Sethuraman, C Subramanian, Mashrin Srivastava, Avinash Chakravarthi, Johnny Jacob, Madhuri Namagiri, Varma Konala, Debasish Dash, Tavpritesh Sethi, Sujeet Jha, Anurag Agrawal, Rajesh Pandey, P K Vinod, U Deva Priyakumar

Get full text