S. Jamal

发表

Individual Claim Development with Machine Learning

Salma Jamal, Greg Taylor, Frank Cuypers, 2017 .

Cheminformatics Based Machine Learning Models for AMA1‐RON2 Abrogators for Inhibiting Plasmodium falciparum Erythrocyte Invasion

S. Jamal, P. Maindola, A. Grover, 2015, Molecular informatics.

Integrating network, sequence and functional features using machine learning approaches towards identification of novel Alzheimer genes

S. Jamal, A. Grover, S. Goyal, 2016, BMC Genomics.

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

S. Jamal, Aditi Singh, A. Grover, 2017, Front. Neurosci..

Artificial Intelligence and Machine learning based prediction of resistant and susceptible mutations in Mycobacterium tuberculosis

S. Hasnain, S. Jamal, A. Grover, 2020, Scientific Reports.

Mycobacterial Methyltransferases: Significance in Pathogenesis and Virulence

S. Hasnain, S. Jamal, N. Z. Ehtesham, 2019, Mycobacterium Tuberculosis: Molecular Infection Biology, Pathogenesis, Diagnostics and New Interventions.

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

Salma Jamal, Sukriti Goyal, Abhinav Grover, 2018, PloS one.

Molecular principles behind pyrazinamide resistance due to mutations in panD gene in Mycobacterium tuberculosis.

J. Kaur, S. Jamal, Aditi Singh, 2016, Gene.

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

S. Jamal, Aditi Singh, C. Tyagi, 2016, PloS one.

Mutations induce conformational changes in folliculin C-terminal domain: possible cause of loss of guanine exchange factor activity and Birt-Hogg-Dubé syndrome

S. Jamal, C. Tyagi, S. Verma, 2017, Journal of biomolecular structure & dynamics.

Cheminformatics Models for Inhibitors of Schistosoma mansoni Thioredoxin Glutathione Reductase

V. Scaria, S. Jamal, Sonam Gaba, 2014, TheScientificWorldJournal.

Natural polyphenolic inhibitors against the antiapoptotic BCL-2

S. Jamal, Aditi Singh, C. Tyagi, 2017, Journal of receptor and signal transduction research.

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

J. Kaur, S. Jamal, Aditi Singh, 2018, Scientific Reports.

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

S. Jamal, A. Grover, S. Goyal, 2015, PloS one.

Computational Screening and Exploration of Disease‐Associated Genes in Alzheimer's Disease

S. Jamal, A. Grover, S. Goyal, 2017, Journal of cellular biochemistry.

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

V. Scaria, S. Jamal, 2014, PeerJ.

COVID-19 PANDEMIC IN INDIA AND CURRENT HEALTH STRATEGY ADAPTATION

S. Jamal, A. F. Rizvi, Shaozab Mehdi, 2021 .

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

V. Scaria, S. Jamal, Sonam Arora, 2016, PloS one.

Drug Discovery: An In Silico Approach

S. Jamal, A. Grover, S. Goyal, 2018 .

Cheminformatics Based Machine Learning Approaches for Assessing Glycolytic Pathway Antagonists of Mycobacterium tuberculosis.

S. Jamal, Aditi Singh, A. Grover, 2016, Combinatorial chemistry & high throughput screening.

Integrating network, sequence and functional features using machine learning approaches towards identification of novel Alzheimer genes

S. Jamal, A. Grover, S. Goyal, 2016, BMC Genomics.

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

S. Jamal, A. Grover, V. Rajput, 2021, Scientific Reports.

Long-range replica exchange molecular dynamics guided drug repurposing against tyrosine kinase PtkA of Mycobacterium tuberculosis

Hina Singh, S. Jamal, A. Grover, 2020, Scientific Reports.

Multifaceted role of drugs: a potential weapon to outsmart Mycobacterium tuberculosis resistance by targeting its essential ThyX

Faizan, S. Jamal, A. Grover, 2021, Journal of biomolecular structure & dynamics.

Hsp90: Friends, clients and natural foes.

S. Jamal, Aditi Singh, S. Verma, 2016, Biochimie.

Novel group-based QSAR and combinatorial design of CK-1δ inhibitors as neuroprotective agents

P. Dhar, S. Jamal, Aditi Singh, 2016, BMC Bioinformatics.

BIM (BCL-2 interacting mediator of cell death) SAHB (stabilized α helix of BCL2) not always convinces BAX (BCL-2-associated X protein) for apoptosis.

S. Jamal, Aditi Singh, C. Tyagi, 2016, Journal of molecular graphics & modelling.

Structural investigations of T854A mutation in EGFR and identification of novel inhibitors using structure activity relationships

Salma Jamal, Sukriti Goyal, Asheesh Shanker, 2015, BMC Genomics.

Structural basis for drug resistance mechanisms against anaplastic lymphoma kinase

S. Jamal, A. Grover, S. Goyal, 2018, Journal of cellular biochemistry.

Computational models for the prediction of adverse cardiovascular drug reactions

Salma Jamal, Abhinav Grover, Sonam Grover, 2019, Journal of Translational Medicine.

Molecular principles behind Boceprevir resistance due to mutations in hepatitis C NS3/4A protease.

S. Jamal, Aditi Singh, A. Grover, 2015, Gene.

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

S. Jamal, A. Grover, Priya Nagpal, 2021, Journal of Translational Medicine.

Computational identification of novel piperidine derivatives as potential HDM2 inhibitors designed by fragment-based QSAR, molecular docking and molecular dynamics simulations

S. Jamal, Aditi Singh, A. Grover, 2016, Structural Chemistry.

Abrogation of AuroraA-TPX2 by novel natural inhibitors: molecular dynamics-based mechanistic analysis

S. Jamal, A. Grover, S. Goyal, 2015, Journal of receptor and signal transduction research.

Cheminformatics Approaches in Modern Drug Discovery

Salma Jamal, Abhinav Grover, S. Jamal, 2017 .

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

Salma Jamal, Sukriti Goyal, Asheesh Shanker, 2017, Scientific Reports.

Identification of chebulinic acid as potent natural inhibitor of M. tuberculosis DNA gyrase and molecular insights into its binding mode of action

Kunal Patel, Ritu Jain, Salma Jamal, 2015, Comput. Biol. Chem..

Insight into the inhibitor discrimination by FLT3 F691L

S. Sinha, S. Jamal, Aditi Singh, 2018, Chemical biology & drug design.

Fragment based G-QSAR and molecular dynamics based mechanistic simulations into hydroxamic-based HDAC inhibitors against spinocerebellar ataxia

Salma Jamal, Sukriti Goyal, Abhinav Grover, 2016, Journal of biomolecular structure & dynamics.

Structural studies on molecular mechanisms of Nelfinavir resistance caused by non-active site mutation V77I in HIV-1 protease

Ritu Jain, Salma Jamal, Sukriti Goyal, 2015, BMC Bioinformatics.

Cheminformatics models based on machine learning approaches for design of USP1/UAF1 abrogators as anticancer agents

Ritu Jain, Salma Jamal, Sukriti Goyal, 2015, Systems and Synthetic Biology.

Cheminformatic models based on machine learning for pyruvate kinase inhibitors of Leishmania mexicana

V. Scaria, S. Jamal, 2013, BMC Bioinformatics.

Cheminformatic models based on machine learning for pyruvate kinase inhibitors of Leishmania mexicana

Salma Jamal, Vinod Scaria, V. Scaria, 2013, BMC Bioinformatics.

Predictive modeling of anti-malarial molecules inhibiting apicoplast formation

V. Scaria, S. Jamal, Vinita Periwal, 2013, BMC Bioinformatics.

Computational analysis and predictive modeling of small molecule modulators of microRNA

et al., Vinita Periwal, Salma Jamal, 2012, Journal of Cheminformatics.

Predictive modeling of anti-malarial molecules inhibiting apicoplast formation

Salma Jamal, Vinod Scaria, Vinita Periwal, 2013, BMC Bioinformatics.

Computational models for the prediction of adverse cardiovascular drug reactions

S. Jamal, A. Grover, Priya Nagpal, 2019, Journal of translational medicine.

Molecular modeling and lead design of substituted zanamivir derivatives as potent anti-influenza drugs

S. Jamal, Aditi Singh, A. Grover, 2016, BMC Bioinformatics.

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

Sonam Grover, Abhinav Grover, Salma Jamal, 2019, Front. Pharmacol..

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

S. Hasnain, D. Roy, S. Jamal, 2021, Computational and structural biotechnology journal.

Structural Basis for Drug Resistance Mechanisms Against EGFR.

S. Jamal, A. Grover, S. Goyal, 2017, Current topics in medicinal chemistry.

Protective effects of a neurohypophyseal hormone analogue on prion aggregation, cellular internalization and toxicity.

S. Jamal, A. Grover, Ankit Srivastava, 2020, ACS chemical neuroscience.

GQSAR modeling and combinatorial library generation of 4-phenylquinazoline-2-carboxamide derivatives as antiproliferative agents in human Glioblastoma tumors

Ritu Jain, Salma Jamal, Sukriti Goyal, 2017, Comput. Biol. Chem..

Emerging genetic diversity among clinical isolates of SARS-CoV-2: Lessons for today

Salma Jamal, Syed Asad Rahman, Javaid Ahmad Sheikh, 2020, Infection, Genetics and Evolution.

Working party members Authors of the report

M. Wüthrich, B. H. champion, R. Gächter, 2017 .

Dynamics of fluoroquinolones induced resistance in DNA gyrase of Mycobacterium tuberculosis

J. Kaur, S. Jamal, Aditi Singh, 2018, Journal of biomolecular structure & dynamics.

Insights into the mutations leading to capreomycin resistance in S-adenosyl-L-methionine binding motif in TlyA from Mycobacterium tuberculosis

S. Jamal, A. Grover, Sonam Grover, 2021, Journal of biomolecular structure & dynamics.

Dissecting the role of mutations in chymase inhibition: Free energy and decomposition analysis.

S. Sinha, S. Jamal, Aditi Singh, 2017, Gene.

Machine Learning: What, Why, and How?

Salma Jamal, Sukriti Goyal, Asheesh Shanker, 2018 .

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

S. Jamal, A. Grover, V. Rajput, 2021, Scientific Reports.

Novel missense mutations in gidB gene associated with streptomycin resistance in Mycobacterium tuberculosis: insights from molecular dynamics

J. Kaur, S. Jamal, Aditi Singh, 2019, Journal of biomolecular structure & dynamics.

Distributed under Creative Commons Cc-by 4.0 Data-mining of Potential Antitubercular Activities from Molecular Ingredients of Traditional Chinese Medicines

V. Scaria, S. Jamal, 2022 .

GQSAR modeling and combinatorial library generation of 4-phenylquinazoline-2-carboxamide derivatives as antiproliferative agents in human Glioblastoma tumors

S. Jamal, A. Grover, R. Jain, 2017, Comput. Biol. Chem..

Molecular modeling and lead design of substituted zanamivir derivatives as potent anti-influenza drugs

Salma Jamal, Sukriti Goyal, Abhinav Grover, 2016, BMC Bioinformatics.