Machine Learning From Molecular Dynamics Trajectories to Predict Caspase-8 Inhibitors Against Alzheimer’s Disease

by Salma Jamal, Abhinav Grover, Sonam Grover
Published 2019-07-01

Computational Analysis and Predictive Cheminformatics Modeling of Small Molecule Inhibitors of Epigenetic Modifiers.

by Salma Jamal, Sonam Arora, Vinod Scaria
Published 2016-01-01

Predicting neurological Adverse Drug Reactions based on biological, chemical and phenotypic properties of drugs using machine learning models

by Salma Jamal, Sukriti Goyal, Asheesh Shanker, Abhinav Grover
Published 2017-04-01

Checking the STEP-Associated Trafficking and Internalization of Glutamate Receptors for Reduced Cognitive Deficits: A Machine Learning Approach-Based Cheminformatics Study and Its...

by Salma Jamal, Sukriti Goyal, Asheesh Shanker, Abhinav Grover
Published 2015-01-01

Data-mining of potential antitubercular activities from molecular ingredients of traditional Chinese medicines

by Salma Jamal, Vinod Scaria, Open Source Drug Discovery Consortium
Published 2014-07-01

Computational models for the prediction of adverse cardiovascular drug reactions

by Salma Jamal, Waseem Ali, Priya Nagpal, Sonam Grover, Abhinav Grover
Published 2019-05-01

Predicting phosphorylation sites using machine learning by integrating the sequence, structure, and functional information of proteins

by Salma Jamal, Waseem Ali, Priya Nagpal, Abhinav Grover, Sonam Grover
Published 2021-05-01

Author Correction: An immunoinformatics approach to design a multi-epitope vaccine against Mycobacterium tuberculosis exploiting secreted exosome proteins

by Rahul Sharma, Vikrant Singh Rajput, Salma Jamal, Abhinav Grover, Sonam Grover
Published 2021-08-01

An immunoinformatics approach to design a multi-epitope vaccine against Mycobacterium tuberculosis exploiting secreted exosome proteins

by Rahul Sharma, Vikrant Singh Rajput, Salma Jamal, Abhinav Grover, Sonam Grover
Published 2021-07-01

Cheminformatics Models for Inhibitors of Schistosoma mansoni Thioredoxin Glutathione Reductase

by Sonam Gaba, Salma Jamal, Open Source Drug Discovery Consortium, Vinod Scaria
Published 2014-01-01

Conformational Ensembles of α-Synuclein Derived Peptide with Different Osmolytes from Temperature Replica Exchange Sampling

by Salma Jamal, Anchala Kumari, Aditi Singh, Aditi Singh, Sukriti Goyal, Abhinav Grover
Published 2017-12-01

Structural investigations on mechanism of lapatinib resistance caused by HER-2 mutants.

by Sharad Verma, Sukriti Goyal, Anchala Kumari, Aditi Singh, Salma Jamal, Abhinav Grover
Published 2018-01-01

Hydrophobic Interactions Are a Key to MDM2 Inhibition by Polyphenols as Revealed by Molecular Dynamics Simulations and MM/PBSA Free Energy Calculations.

by Sharad Verma, Sonam Grover, Chetna Tyagi, Sukriti Goyal, Salma Jamal, Aditi Singh, Abhinav Grover
Published 2016-01-01

Alanine mutation of the catalytic sites of Pantothenate Synthetase causes distinct conformational changes in the ATP binding region

by Bharati Pandey, Sonam Grover, Sukriti Goyal, Anchala Kumari, Aditi Singh, Salma Jamal, Jagdeep Kaur, Abhinav Grover
Published 2018-01-01

Mapping the genomic landscape & diversity of COVID-19 based on >3950 clinical isolates of SARS-CoV-2: Likely origin & transmission dynamics of isolates sequenced in India

by Hina Singh, Jasdeep Singh, Mohd Khubaib, Salma Jamal, Javaid Ahmed Sheikh, Sunil Kohli, Seyed Ehtesham Hasnain, Syed Asad Rahman
Published 2020-01-01

Computational modeling and bioinformatic analyses of functional mutations in drug target genes in Mycobacterium tuberculosis

by Pooja Singh, Salma Jamal, Faraz Ahmed, Najumu Saqib, Seema Mehra, Waseem Ali, Deodutta Roy, Nasreen Z. Ehtesham, Seyed E. Hasnain
Published 2021-01-01