| Computational screening of promising beta-secretase 1 inhibitors through multi-step molecular docking and molecular dynamics simulations-Pharmacoinformatics approach S Gupta, D Parihar, M Shah, S Yadav, H Managori, S Bhowmick, PC Patil, ... Journal of Molecular Structure 1205, 127660, 2020 | 24 | 2020 |
| Big data analytics P Chunarkar-Patil, A Bhosale Open Access J Sci 2 (5), 326-335, 2018 | 22 | 2018 |
| Multi-step molecular docking and dynamics simulation-based screening of large antiviral specific chemical libraries for identification of Nipah virus glycoprotein inhibitors MS Kalbhor, S Bhowmick, AM Alanazi, PC Patil, MA Islam Biophysical chemistry 270, 106537, 2021 | 19 | 2021 |
| Pharmacoinformatics approach based identification of potential Nsp15 endoribonuclease modulators for SARS-CoV-2 inhibition RU Savale, S Bhowmick, SM Osman, FA Alasmary, TM Almutairi, ... Archives of Biochemistry and Biophysics 700, 108771, 2021 | 17 | 2021 |
| Pharmacoinformatics-based identification of anti-bacterial catalase-peroxidase enzyme inhibitors CS Jangam, S Bhowmick, RD Chorge, LD Bharatrao, PC Patil, ... Computational Biology and Chemistry 83, 107136, 2019 | 15 | 2019 |
| In silico identification of small molecule modulators for disruption of Hsp90–Cdc37 protein–protein interaction interface for cancer therapeutic application PP Dike, S Bhowmick, GE Eldesoky, SM Wabaidur, PC Patil, MA Islam Journal of Biomolecular Structure and Dynamics 40 (5), 2082-2098, 2022 | 9 | 2022 |
| Identification of bio-active food compounds as potential SARS-CoV-2 PLpro inhibitors-modulators via negative image-based screening and computational simulations S Bhowmick, NA AlFaris, JZ ALTamimi, ZA ALOthman, PC Patil, ... Computers in Biology and Medicine 145, 105474, 2022 | 8 | 2022 |
| De novo design based identification of potential HIV-1 integrase inhibitors: a pharmacoinformatics study PB Shinde, S Bhowmick, E Alfantoukh, PC Patil, SM Wabaidur, ... Computational biology and chemistry 88, 107319, 2020 | 8 | 2020 |
| Identification of potential cruzain inhibitors using de novo design, molecular docking and dynamics simulations studies S Bhowmick, RD Chorge, CS Jangam, LD Bharatrao, PC Patil, ... Journal of Biomolecular Structure and Dynamics 38 (13), 4005-4015, 2020 | 6 | 2020 |
| Anticancer Drug Discovery Based on Natural Products: From Computational Approaches to Clinical Studies P Chunarkar-Patil, M Kaleem, R Mishra, S Ray, A Ahmad, D Verma, ... Biomedicines 12 (1), 201, 2024 | 5 | 2024 |
| Structure-based screening of DNA gyraseb inhibitors for therapeutic applications in tuberculosis: a pharmacoinformatics study PM Tambe, S Bhowmick, SK Chaudhary, MR Khan, SM Wabaidur, ... Applied Biochemistry and Biotechnology 192, 1107-1123, 2020 | 4 | 2020 |
| An analysis of non-cultivable bacteria using WEKA PC Patil, PS Panchal, S Madiwale, VS Tale Bioinformation 16 (8), 620, 2020 | 4 | 2020 |
| Identification of structural requirements of estrogen receptor modulators using pharmacoinformatics techniques for application to estrogen therapy TSP Md. Ataul Islam, Darshakkumar Ashokbhai Patel, Savansinh Ghanshyamsinh ... Medicinal Chemistry Research, 2016 | 4 | 2016 |
| Machine Learning Assisted Methods for the Identification of Low Toxicity Inhibitors of Enoyl-Acyl Carrier Protein Reductase (InhA) RV Chikhale, HTM Abdelghani, H Deka, AD Pawar, PC Patil, S Bhowmick Computational Biology and Chemistry, 108034, 2024 | 2 | 2024 |
| Determination of uncultured microorganisms based on metagenomics signature or biomarkers at fresh water reservoirs PS Panchal, HV Bhairavkar, PC Patil Open Access J Sci 2 (1), 00036, 2018 | 2 | 2018 |
| Investigation of bio-active Amaryllidaceae alkaloidal small molecules as putative SARS-CoV-2 main protease and host TMPRSS2 inhibitors: interpretation by in-silico simulation study S Bhowmick, TK Mistri, MR Khan, PC Patil, R Busquets, AM Ashif Ikbal, ... Journal of Biomolecular Structure and Dynamics, 1-21, 2023 | 1 | 2023 |
| Metagenomic analysis of Dam Reservoirs in Pune city for bacterial fingerprints through BLAST and Kaiju tool PC Patil, DA Patel, VS Tale Biosciences Biotechnology Research Asia 17 (4), 839-852, 2021 | 1 | 2021 |
| Virtual reality in bioinformatics PC Patil, T Batra Open Access Journal of Science 3 (2), 2019 | 1 | 2019 |
| INSILICO ANALYSIS OF GYRASE SUBUNITS A AND B IN PROKARYOTES SR DESHMUKH, P CHUNARKAR, MDA ISLAM International Journal of Pharmacy and Pharmaceutical Sciences 5 (4), 339-345, 2013 | 1 | 2013 |
| Identification of novel hit molecules targeting M. tuberculosis polyketide synthase 13 by combining generative AI and physics-based methods RV Chikhale, R Choudhary, J Malhotra, GE Eldesoky, P Mangal, PC Patil Computers in Biology and Medicine 176, 108573, 2024 | | 2024 |
Dr. Md Ataul IslamSenior Computational Chemist, 3BIGS Omicscore, Bangalore, IndiaVerified email at 3bigs.com
