S. Goyal

发表

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.

Molecular modelling studies on flavonoid derivatives as dual site inhibitors of human acetyl cholinesterase using 3D-QSAR, pharmacophore and high throughput screening approaches

J. Dhanjal, C. Tyagi, A. Grover, 2014, Medicinal Chemistry Research.

Fragment based group QSAR and molecular dynamics mechanistic studies on arylthioindole derivatives targeting the α-β interfacial site of human tubulin

J. Dhanjal, C. Tyagi, A. Grover, 2014, 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..

Mechanistic Insights into the Binding of Class IIa HDAC Inhibitors toward Spinocerebellar Ataxia Type-2: A 3D-QSAR and Pharmacophore Modeling Approach

S. Sinha, P. Somvanshi, A. Grover, 2017, Front. Neurosci..

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.

Computational Structure-Based De Novo Design of Hypothetical Inhibitors against the Anti- Inflammatory Target COX-2

J. Dhanjal, D. Sundar, Khushboo Bafna, 2015, PloS one.

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.

Analyses of methyltransferases across the pathogenicity spectrum of different mycobacterial species point to an extremophile connection.

S. Hasnain, N. Z. Ehtesham, Paras Gupta, 2016, Molecular bioSystems.

Structural modeling and molecular simulation analysis of HvAP2/EREBP from barley

Pradeep Sharma, I. Sharma, C. Tyagi, 2016, Journal of biomolecular structure & dynamics.

Curcumin-based IKKβ inhibiting anticancer lead design using novel fragment-based group QSAR modelling

J. Dhanjal, N. Bharadvaja, C. Tyagi, 2015, Medicinal Chemistry Research.

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.

Curcumin-based IKKβ inhibiting anticancer lead design using novel fragment-based group QSAR modelling

J. Dhanjal, N. Bharadvaja, C. Tyagi, 2015, Medicinal Chemistry Research.

Molecular modelling studies on flavonoid derivatives as dual site inhibitors of human acetyl cholinesterase using 3D-QSAR, pharmacophore and high throughput screening approaches

J. Dhanjal, C. Tyagi, A. Grover, 2014, Medicinal Chemistry Research.

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.

Molecular Characterization and Enhancement of Anticancer Activity of Caffeic Acid Phenethyl Ester by γ Cyclodextrin

S. Kaul, R. Wadhwa, J. Dhanjal, 2016, Journal of Cancer.

Molecular Modeling and Virtual Screening Approach to Discover Potential Antileishmanial Inhibitors Against Ornithine Decarboxylase.

V. Prajapati, A. Grover, S. Goyal, 2016, Combinatorial chemistry & high throughput screening.

Targeting Mortalin by Embelin Causes Activation of Tumor Suppressor p53 and Deactivation of Metastatic Signaling in Human Breast Cancer Cells

S. Kaul, R. Wadhwa, D. Sundar, 2015, PloS one.

Molecular dynamics-based identification of novel natural mortalin–p53 abrogators as anticancer agents

S. Kaul, R. Wadhwa, J. Dhanjal, 2017, Journal of receptor and signal transduction research.

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.

Fragment based group QSAR and molecular dynamics mechanistic studies on arylthioindole derivatives targeting the α-β interfacial site of human tubulin

J. Dhanjal, C. Tyagi, A. Grover, 2014, BMC Genomics.

Modern Approaches in Cancer Pharmacology

A. Grover, S. Goyal, 2017 .

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.

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

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

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.

Mechanistic insights into mode of action of novel natural cathepsin L inhibitors

J. Dhanjal, C. Tyagi, A. Grover, 2013, BMC Genomics.

Targeting the intersubunit cavity of Plasmodium falciparum glutathione reductase by a novel natural inhibitor: computational and experimental evidence.

Sukriti Goyal, Abhinav Grover, Chetna Tyagi, 2015, The international journal of biochemistry & cell biology.

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.

Computational identification of novel natural inhibitors of glucagon receptor for checking type II diabetes mellitus

Sukriti Goyal, Abhinav Grover, Sonam Grover, 2014, BMC Bioinformatics.

Novel Natural Structure Corrector of ApoE4 for Checking Alzheimer's Disease: Benefits from High Throughput Screening and Molecular Dynamics Simulations

J. Dhanjal, C. Tyagi, A. Grover, 2013, BioMed research international.

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.

Development of Dual Inhibitors against Alzheimer's Disease Using Fragment-Based QSAR and Molecular Docking

Sukriti Goyal, Abhinav Grover, Jaspreet Kaur Dhanjal, 2014, BioMed research international.

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.

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

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

Computational design of novel flavonoid analogues as potential AChE inhibitors: analysis using group-based QSAR, molecular docking and molecular dynamics simulations

Sukriti Goyal, Abhinav Grover, Jaspreet Kaur Dhanjal, 2015, Structural Chemistry.

Novel Fragment‐Based QSAR Modeling and Combinatorial Design of Pyrazole‐Derived CRK3 Inhibitors as Potent Antileishmanials

Sukriti Goyal, Abhinav Grover, Chetna Tyagi, 2014, Chemical biology & drug design.

Group-based QSAR and molecular dynamics mechanistic analysis revealing the mode of action of novel piperidinone derived protein-protein inhibitors of p53-MDM2.

Sukriti Goyal, Abhinav Grover, Sonam Grover, 2014, Journal of molecular graphics & modelling.

Mechanistic insights into mode of actions of novel oligopeptidase B inhibitors for combating leishmaniasis

Sukriti Goyal, Abhinav Grover, Sonam Grover, 2014, Journal of Molecular Modeling.

Mechanistic insights into mode of action of potent natural antagonists of BACE-1 for checking Alzheimer's plaque pathology.

J. Dhanjal, R. Hamid, A. Grover, 2014, Biochemical and biophysical research communications.

Structural Basis for Drug Resistance Mechanisms Against EGFR.

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

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..

Dynamics of fluoroquinolones induced resistance in DNA gyrase of Mycobacterium tuberculosis

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

Functional analysis of the binding model of microbial inulinases using docking and molecular dynamics simulation

Pratyoosh Shukla, A. Grover, S. Goyal, 2016, Journal of Molecular Modeling.