R. Rajasekaran

发表

Applications of computational algorithm tools to identify functional SNPs

C. Sudandiradoss, Sethumadhavan Rao, C. George Priya Doss, 2008, Functional & Integrative Genomics.

Identification of therapeutic peptide scaffold from tritrpticin family for urinary tract infections using in silico techniques

R. Rajasekaran, S. Shruti, 2019, Journal of biomolecular structure & dynamics.

Studies on flexibility and binding affinity of Asp25 of HIV-1 protease mutants.

Rituraj Purohit, C. Sudandiradoss, K. Ramanathan, 2008, International journal of biological macromolecules.

Computational identification and structural analysis of deleterious functional SNPs in MLL gene causing acute leukemia

C. George Priya Doss, R. Rajasekaran, R. Sethumadhavan, 2010, Interdisciplinary Sciences: Computational Life Sciences.

A novel computational and structural analysis of nsSNPs in CFTR gene

R. Purohit, C. Sudandiradoss, R. Rajasekaran, 2008, Genomic Medicine.

Prioritization of candidate SNPs in colon cancer using bioinformatics tools: An alternative approach for a cancer biologist

C. George Priya Doss, R. Rajasekaran, R. Sethumadhavan, 2010, Interdisciplinary Sciences: Computational Life Sciences.

In Silico Template Selection of Short Antimicrobial Peptide Viscotoxin for Improving Its Antimicrobial Efficiency in Development of Potential Therapeutic Drugs

R. Rajasekaran, B. Senthilkumar, 2017, Applied Biochemistry and Biotechnology.

Exploring the structural and functional effect of pRB by significant nsSNP in the coding region of RB1 gene causing retinoblastoma

R. Rajasekaran, R. Sethumadhavan, 2010, Science China Life Sciences.

Computational Investigation on Electrostatic Loop Mutants Instigating Destabilization and Aggregation on Human SOD1 Protein Causing Amyotrophic Lateral Sclerosis

R. Rajasekaran, E. Srinivasan, 2019, The Protein Journal.

Rational design of linear tripeptides against the aggregation of human mutant SOD1 protein causing amyotrophic lateral sclerosis

R. Rajasekaran, E. Srinivasan, 2019, Journal of the Neurological Sciences.

Exploring the cause of aggregation and reduced Zn binding affinity by G85R mutation in SOD1 rendering amyotrophic lateral sclerosis

R. Rajasekaran, E. Srinivasan, 2017, Proteins.

Identification of Potential Inhibitors of H5N1 Influenza A Virus Neuraminidase by Ligand-Based Virtual Screening Approach

R. Rajasekaran, K. Ramanathan, V. Shanthi, 2013, Cell Biochemistry and Biophysics.

Deciphering the loss of metal binding due to mutation D83G of human SOD1 protein causing FALS disease.

R. Rajasekaran, E. Srinivasan, 2018, International journal of biological macromolecules.

Computational simulation analysis on human SOD1 mutant (H80R) exposes the structural destabilization and the deviation of Zn binding that directs familial amyotrophic lateral sclerosis

R. Sarma, R. Rajasekaran, E. Srinivasan, 2017, Journal of biomolecular structure & dynamics.

In Silico Analysis of Prion Protein Mutants: A Comparative Study by Molecular Dynamics Approach

C. George Priya Doss, R. Rajasekaran, N. Nagasundaram, 2013, Cell Biochemistry and Biophysics.

Computational analysis of cdh1 missense mutations in the cause of hereditary diffuse gastric cancer

R. Rajasekaran, K. Ramanathan, V. Shanthi, 2013 .

Predicting Therapeutic Template by Evaluating the Structural Stability of Anti-Cancer Peptides—A Computational Approach

C. Sudandiradoss, R. Rajasekaran, K. Ramanathan, 2011, International Journal of Peptide Research and Therapeutics.

Effect of deleterious nsSNP on the HER2 receptor based on stability and binding affinity with herceptin: a computational approach.

R. Purohit, C. George Priya Doss, C. Sudandiradoss, 2008, Comptes rendus biologies.

Could Dermaseptin Analogue be a Competitive Inhibitor for ACE2 Towards Binding with Viral Spike Protein Causing COVID19?: Computational Investigation

R. Rajasekaran, P. C. Sekar, 2021, International journal of peptide research and therapeutics.

Probing the competitive inhibitor efficacy of frog-skin alpha helical AMPs identified against ACE2 binding to SARS-CoV-2 S1 spike protein as therapeutic scaffold to prevent COVID-19

R. Rajasekaran, E. Srinivasan, P. C. Sekar, 2022, Journal of Molecular Modeling.

A Systematic and Comprehensive Review on Disease-Causing Genes in Amyotrophic Lateral Sclerosis

R. Rajasekaran, E. Srinivasan, 2020, Journal of Molecular Neuroscience.

Unraveling the Deleterious Effects of Cancer-Driven STK11 Mutants Through Conformational Sampling Approach

R. Rajasekaran, D. Paul, M. Lopus, 2016, Cancer informatics.

In silico searching for disease-associated functional DNA variants.

R. Rajasekaran, R. Sethumadhavan, C. Doss, 2011, Methods in molecular biology.

Computational detection of deleterious SNPs and their effect on sequence and structural level of the VHL gene

C. George Priya Doss, C. Sudandiradoss, R. Rajasekaran, 2008, Mammalian Genome.

In silico analysis of structural and functional consequences in p16INK4A by deleterious nsSNPs associated CDKN2A gene in malignant melanoma.

C. Sudandiradoss, R. Rajasekaran, K. Ramanathan, 2008, Biochimie.

Computational and structural investigation of deleterious functional SNPs in breast cancer BRCA2 gene.

C. Sudandiradoss, R. Rajasekaran, K. Ramanathan, 2008, Sheng wu gong cheng xue bao = Chinese journal of biotechnology.

Identification and in silico analysis of functional SNPs of the BRCA1 gene.

C. Sudandiradoss, R. Rajasekaran, R. Sethumadhavan, 2007, Genomics.

Computational Identification of Significant Missense Mutations in AKT1 Gene

R. Rajasekaran, K. Ramanathan, V. Shanthi, 2014, Cell Biochemistry and Biophysics.

Structural Stability Among Hybrid Antimicrobial Peptide Cecropin A(1–8)–Magainin 2(1–12) and Its Analogues: A Computational Approach

R. Rajasekaran, E. Srinivasan, B. Senthilkumar, 2017, Journal of Cluster Science.

Structural characterization of disease-causing mutations on SAP and the functional impact on the SLAM peptide: a molecular dynamics approach.

R. Rajasekaran, P. Chandrasekaran, 2014, Molecular bioSystems.

Computational analysis of deleterious missense mutations in aspartoacylase that cause Canavan’s disease

R. Rajasekaran, K. Ramanathan, V. Shanthi, 2012, Science China Life Sciences.

Exploring the cause of drug resistance by the detrimental missense mutations in KIT receptor: computational approach

R. Rajasekaran, R. Sethumadhavan, 2010, Amino Acids.

A computational approach to ana- lyze the missense mutations in hu- man angiogenin variants leading to amyotrophic lateral sclerosis

R. Rajasekaran, 2019 .

Exploring the missense mutation impact on STK11 which cause Peutz-Jeghers Syndrome by computational analysis

R. Rajasekaran, M. Lopus, 2014 .

In Silico Identification of Significant Detrimental Missense Mutations of EGFR and Their Effect with 4-Anilinoquinazoline-Based Drugs

R. Rajasekaran, R. Sethumadhavan, 2010, Applied biochemistry and biotechnology.

Analysisofbindingresiduesbetweenscorpionneurotoxinsand D2dopaminereceptor:Acomputationaldockingstudy

R. Purohit, C. Sudandiradoss, R. Rajasekaran, 2008 .

In silico approach to explore the disruption in the molecular mechanism of human hyaluronidase 1 by mutant E268K that directs Natowicz syndrome

R. Rajasekaran, D. Meshach Paul, 2017, European Biophysics Journal.

Could Dermaseptin Analogue be a Competitive Inhibitor for ACE2 Towards Binding with Viral Spike Protein Causing COVID19?: Computational Investigation

R. Rajasekaran, P. C. Sekar, 2021, International Journal of Peptide Research and Therapeutics.

Probing the inhibitory activity of epigallocatechin-gallate on toxic aggregates of mutant (L84F) SOD1 protein through geometry based sampling and steered molecular dynamics.

R. Rajasekaran, E. Srinivasan, 2017, Journal of molecular graphics & modelling.

Analysis of the Structural Stability Among Cyclotide Members Through Cystine Knot Fold that Underpins Its Potential Use as a Drug Scaffold

R. Rajasekaran, B. Senthilkumar, 2017, International Journal of Peptide Research and Therapeutics.

DEVELOPMENT OF CANCER DATABASE BY AMALGAMATION OF VARIOUS EXISTING DATABASE

Sorabh Singhal, R. Rajasekaran, K. Ramanathan, 2012 .

Exploration of Structural and Functional Variations Owing to Point Mutations in α-NAGA

R. Rajasekaran, Paul, D. Meshach Paul, 2016, Interdisciplinary Sciences: Computational Life Sciences.

Identification of Effective Dimeric Gramicidin-D Peptide as Antimicrobial Therapeutics over Drug Resistance: In-Silico Approach

R. Rajasekaran, G. Pavithrra, 2018, Interdisciplinary Sciences: Computational Life Sciences.

Phenytoin-Bovine Serum Albumin interactions - modeling plasma protein - drug binding: A multi-spectroscopy and in silico-based correlation.

R. Rajasekaran, P. K. Suresh, N. Divya, 2018, Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy.

Structural distortions due to missense mutations in human formylglycine-generating enzyme leading to multiple sulfatase deficiency

R. Rajasekaran, R. Sethumadhavan, B. Senthilkumar, 2018, Journal of biomolecular structure & dynamics.

Geometric Simulation Approach for Grading and Assessing the Thermostability of CALBs

R. Rajasekaran, B. Senthilkumar, D. Meshachpaul, 2016, Biochemistry research international.

Selection of effective and highly thermostable Bacillus subtilis lipase A template as an industrial biocatalyst-A modern computational approach

R. Rajasekaran, R. Sethumadhavan, B. Senthilkumar, 2015, Frontiers in Biology.

Identification of Potential Inhibitors of H5N1 Influenza A Virus Neuraminidase by Ligand-Based Virtual Screening Approach

R. Rajasekaran, K. Ramanathan, V. Shanthi, 2013, Cell Biochemistry and Biophysics.

Computational Resources for Designing Peptide Based Drugs Preferred in the Field of Nanomedicine

R. Rajasekaran, B. Senthilkumar, 2016 .

In‐Silico Template Selection of In‐Vitro Evolved Kalata B1 of Oldenlandia Affinis for Scaffolding Peptide‐Based Drug Design

R. Rajasekaran, B. Senthilkumar, Prakash Kumar, 2016, Journal of cellular biochemistry.

In silico analysis of detrimental mutations in ADD domain of chromatin remodeling protein ATRX that cause ATR-X syndrome: X-linked disorder

R. Rajasekaran, K. Ramanathan, V. Shanthi, 2013, Network Modeling Analysis in Health Informatics and Bioinformatics.

Identification and structural comparison of deleterious mutations in nsSNPs of ABL1 gene in chronic myeloid leukemia: A bio-informatics study

Rituraj Purohit, C. Sudandiradoss, Rao Sethumadhavan, 2008, J. Biomed. Informatics.

Structural and Functional Impact of Genetic Variations in FOXC2: A Computational Study

Shanthi, R. Rajasekaran, K. Ramanathan, 2014 .

Molecular simulation probes the potency of resveratrol in regulating the toxic aggregation of mutant V30M TTR fibrils in Transthyretin mediated amyloidosis.

R. Rajasekaran, S. Venkataramanan, E. Srinivasan, 2021, Journal of molecular graphics & modelling.

Alpha-Synuclein Aggregation in Parkinson's Disease

R. Rajasekaran, P. Chandrasekar, R. Karunakaran, 2021, Frontiers in Medicine.

Computational investigation of curcumin, a natural polyphenol that inhibits the destabilization and the aggregation of human SOD1 mutant (Ala4Val)

R. Rajasekaran, E. Srinivasan, 2016 .

Decoding Conformational Imprint of Convoluted Molecular Interactions Between Prenylflavonoids and Aggregated Amyloid-Beta42 Peptide Causing Alzheimer’s Disease

R. Rajasekaran, I. Tayubi, R. Karunakaran, 2021, Frontiers in Chemistry.

In Silico Therapeutic Peptide Design Against Pathogenic Domain Swapped Human Cystatin C Dimer

R. Rajasekaran, G. Chandrasekhar, 2021 .

Comparative binding of kaempferol and kaempferide on inhibiting the aggregate formation of mutant (G85R) SOD1 protein in familial amyotrophic lateral sclerosis: A quantum chemical and molecular mechanics study

R. Rajasekaran, E. Srinivasan, 2018, BioFactors.

TTRMDB: A database for structural and functional analysis on the impact of SNPs over transthyretin (TTR) using bioinformatic tools

E Srinivasan, Nandhini Natarajan, R Rajasekaran, 2020, Comput. Biol. Chem..

A systematic molecular dynamics approach to the structural characterization of amyloid aggregation propensity of β2-microglobulin mutant D76N.

R. Rajasekaran, P. Chandrasekaran, 2016, Molecular bioSystems.

Molecular simulation unravels the amyloidogenic misfolding of nascent ApoA1 protein, driven by deleterious point mutations occurring in between 170–178 hotspot region

R. Rajasekaran, E. Srinivasan, G. Chandrasekhar, 2021, Journal of biomolecular structure & dynamics.

Gramicidin Peptide to Combat Antibiotic Resistance: A Review

R. Rajasekaran, G. Pavithrra, 2019, International Journal of Peptide Research and Therapeutics.

Cysteine to Serine Conversion at 111th Position Renders the Disaggregation and Retains the Stabilization of Detrimental SOD1 A4V Mutant Against Amyotrophic Lateral Sclerosis in Human—A Discrete Molecular Dynamics Study

R. Rajasekaran, E. Srinivasan, 2018, Cell Biochemistry and Biophysics.

In Silico Analysis of Prion Protein Mutants: A Comparative Study by Molecular Dynamics Approach

C. George Priya Doss, R. Rajasekaran, N. Nagasundaram, 2013, Cell Biochemistry and Biophysics.

Detailed computational analysis revealed mutation V210I on PrP induced conformational conversion on β2-α2 loop and α2-α3.

R. Rajasekaran, P. Chandrasekaran, 2016, Molecular bioSystems.

Amyotrophic lateral sclerosis (ALS) is a fatal neurodegenerative disorder characterized by selective destruction of motor neurons, resulting paralysis in stages and death within a few years from onset(Bruijin

R. Rajasekaran, K. Sreevishnupriya, 2016 .

Investigations on the interactions of scorpion neurotoxins with the predicted structure of D1 dopamine receptor by protein-protein docking method. A bioinformatics approach.

R. Purohit, C. Sudandiradoss, R. Rajasekaran, 2008, Comptes rendus biologies.

Identification of protegrin-1 as a stable and nontoxic scaffold among protegrin family – a computational approach

R. Sarma, R. Rajasekaran, S. Shruti, 2018, Journal of biomolecular structure & dynamics.

Computational investigation of the human SOD1 mutant, Cys146Arg, that directs familial amyotrophic lateral sclerosis.

R. Rajasekaran, E. Srinivasan, 2017, Molecular bioSystems.

In silico analysis of drug-resistant mutant of neuraminidase (N294S) against oseltamivir

R. Rajasekaran, K. Ramanathan, V. Shanthi, 2013, Protoplasma.

Exploring the Cause of Oseltamivir Resistance Against Mutant H274Y Neuraminidase by Molecular Simulation Approach

V. Shanthi, K. Ramanathan, V. Karthick, 2012, Applied Biochemistry and Biotechnology.

Unravelling the molecular effect of ocellatin-1, F1, K1 and S1, the frog-skin antimicrobial peptides to enhance its therapeutics—quantum and molecular mechanical approaches

R. Rajasekaran, E. Srinivasan, P. C. Sekar, 2021, Journal of Molecular Modeling.

Enhancement of Task Performance Aided by Music

B. Geethanjali, M. Jagannath, K. Adalarasu, 2016 .

In Silico Analysis of Detrimental Missense Mutations on SAP and Its Effect on Interactions with SLAM

R. Rajasekaran, K. Ramanathan, V. Shanthi, 2012 .

Molecular binding response of naringin and naringenin to H46R mutant SOD1 protein in combating protein aggregation using density functional theory and discrete molecular dynamics.

R. Rajasekaran, E. Srinivasan, 2019, Progress in biophysics and molecular biology.

Quantum chemical and molecular mechanics studies on the assessment of interactions between resveratrol and mutant SOD1 (G93A) protein

E. Srinivasan, R. Rajasekaran, R. Rajasekaran, 2018, Journal of Computer-Aided Molecular Design.

Investigating the pernicious effects of heparan sulfate in serum amyloid A1 protein aggregation: a structural bioinformatics approach

R. Rajasekaran, G. Chandrasekhar, 2020, Journal of biomolecular structure & dynamics.

Computational analysis of deleterious missense mutations in aspartoacylase that cause Canavan’s disease

R. Rajasekaran, K. Ramanathan, V. Shanthi, 2012, Science China Life Sciences.

A theoretical study on Zn binding loop mutants instigating destabilization and metal binding loss in human SOD1 protein

R. Rajasekaran, R. Sethumadhavan, E. Srinivasan, 2017, Journal of Molecular Modeling.

A computational approach to explore the functional missense mutations in the spindle check point protein Mad1

R. Rajasekaran, K. Ramanathan, V. Shanthi, 2013, Frontiers in Biology.

R. Rajasekaran, E. Srinivasan, 2017, Cell Biochemistry and Biophysics.

Molecular mechanics and quantum chemical calculations unveil the combating effect of baicalein on human islet amyloid polypeptide aggregates

R. Purohit, R. Rajasekaran, E. Srinivasan, 2019, Molecular Simulation.

Analysis of binding residues between scorpion neurotoxins and D2 dopamine receptor: A computational docking study

Rituraj Purohit, C. Sudandiradoss, Rao Sethumadhavan, 2008, Comput. Biol. Medicine.

Investigations on the interactions of scorpion neurotoxins with the predicted structure of D1 dopamine receptor by protein-protein docking method. A bioinformatics approach.

C. Sudandiradoss, R. Rajasekaran, K. Ramanathan, 2008, Comptes rendus. Biologies.