Personal information

Verified email domains

Activities

Works (20)

C. perfringens enterotoxin-claudin pore complex: Models for structure, mechanism of pore assembly and cation permeability

Computational and Structural Biotechnology Journal
2024-12 | Journal article
Part of ISSN: 2001-0370
Contributors: Santhosh Kumar Nagarajan; Joy Weber; Daniel Roderer; Jörg Piontek
Source: Self-asserted source
Santhosh Kumar Nagarajan

Molecular Dynamics Simulations of Claudin-10a and -10b Ion Channels: With Similar Architecture, Different Pore Linings Determine the Opposite Charge Selectivity

International Journal of Molecular Sciences
2024-03-09 | Journal article
Contributors: Santhosh Kumar Nagarajan; Jörg Piontek
Source: check_circle
Crossref
grade
Preferred source (of 2)‎

Claudin-10b cation channels in tight junction strands: Octameric-interlocked pore barrels constitute paracellular channels with low water permeability.

Computational and Structural Biotechnology Journal
2023 | Journal article
Part of ISSN: 2001-0370
Contributors: Nagarajan SK; Klein S; Fadakar BS; Piontek J
Source: check_circle
FACTScience - Charité Universitätsmedizin Berlin

Identification of Potent and Selective JAK1 Lead Compounds Through Ligand-Based Drug Design Approaches.

Frontiers in Pharmacology
2022 | Journal article
Part of ISSN: 1663-9812
Contributors: Babu S; Nagarajan SK; Sathish S; Negi VS; Sohn H; Madhavan T
Source: check_circle
FACTScience - Charité Universitätsmedizin Berlin

Time-dependent conformational analysis of ALK5-lumican complex in presence of graphene and graphene oxide employing molecular dynamics and MMPBSA calculation

Journal of Biomolecular Structure and Dynamics
2022-09-02 | Journal article
Contributors: Sindhiya Sridharan; Santhosh Kumar Nagarajan; Kathirvel Venugopal; G. Devanand Venkatasubbu
Source: check_circle
Crossref

Structure and dynamics of the somatostatin receptor 3‐ligand binding in the presence of lipids examined using computational structural biology methods

Proteins: Structure, Function, and Bioinformatics
2022-03 | Journal article
Contributors: Santhosh Kumar Nagarajan; Sathya Babu; Panneer Devaraju; Honglae Sohn; Thirumurthy Madhavan
Source: check_circle
Crossref

Radio-protective efficacy of Gymnema sylvestre on Pangasius sutchi against gamma (60Co) irradiation

International Journal of Radiation Biology
2022-02-01 | Journal article
Contributors: Pamela Sinha; Kantha Devi Arunachalam; Santhosh Kumar Nagarajan; Thirumurthy Madhavan; Arumugam R. Jayakumar; Mohamed Saiyad Musthafa
Source: check_circle
Crossref

Antifungal activity of wild bergamot (Monarda fistulosa) essential oil against postharvest fungal pathogens of banana fruits

South African Journal of Botany
2022-01 | Journal article
Contributors: Seema A. Kulkarni; Periyar Selvam Sellamuthu; Santhosh Kumar Nagarajan; Thirumurthy Madhavan; Emmanuel Rotimi Sadiku
Source: check_circle
Crossref

Understanding the influence of lipid bilayers and ligand molecules in determining the conformational dynamics of somatostatin receptor 2.

Scientific reports
2021-04-07 | Journal article
Source: Self-asserted source
Santhosh Kumar Nagarajan

Molecular-Level Understanding of the Somatostatin Receptor 1 (SSTR1)-Ligand Binding: A Structural Biology Study Based on Computational Methods.

ACS omega
2020-08 | Journal article
Contributors: Nagarajan SK; Babu S; Sohn H; Madhavan T
Source: Self-asserted source
Santhosh Kumar Nagarajan via Europe PubMed Central

Computational evaluation of major components from plant essential oils as potent inhibitors of SARS-CoV-2 spike protein.

Journal of molecular structure
2020-07 | Journal article
Contributors: Kulkarni SA; Nagarajan SK; Ramesh V; Palaniyandi V; Selvam SP; Madhavan T
Source: Self-asserted source
Santhosh Kumar Nagarajan via Europe PubMed Central
grade
Preferred source (of 2)‎

Investigation of Empirical and Semi-Empirical Charges to Study the Effects of Partial Charges on Quality and Prediction Accuracy in 3D-QSAR

Chemistryselect
2019 | Journal article
Part of ISSN: 2365-6549
Contributors: Babu S; Nagarajan SK; Madhavan T
Source: check_circle
FACTScience - Charité Universitätsmedizin Berlin

Understanding the structural features of JAK2 inhibitors: a combined 3D-QSAR, DFT and molecular dynamics study.

Molecular diversity
2019-01 | Journal article
Contributors: Babu S; Nagarajan SK; Madhavan T
Source: Self-asserted source
Santhosh Kumar Nagarajan via Europe PubMed Central

Isolation, purification and characterization of proteinaceous fungal ?-amylase inhibitor from rhizome of Cheilocostus speciosus (J.Koenig) C.D.Specht

International Journal of Biological Macromolecules
2018 | Journal article
EID:

2-s2.0-85040085681

Contributors: Balasubramanian, A.; Bhattacharjee, M.; Sakthivel, M.; Thirumavalavan, M.; Madhavan, T.; Nagarajan, S.K.; Palaniyandi, V.; Raman, P.
Source: Self-asserted source
Santhosh Kumar Nagarajan via Scopus - Elsevier

Toward a better understanding of the interaction between somatostatin receptor 2 and its ligands: a structural characterization study using molecular dynamics and conceptual density functional theory.

Journal of biomolecular structure & dynamics
2018-11 | Journal article
Contributors: Kumar Nagarajan S; Babu S; Sohn H; Devaraju P; Madhavan T
Source: Self-asserted source
Santhosh Kumar Nagarajan via Europe PubMed Central

Towards a better understanding of the interaction between Somatostatin receptor 2 (SSTR2) and its ligands: a structural characterization study using molecular dynamics and conceptual Density Functional Theory (DFT)

Journal of biomolecular Structure & Dynamics
2018-08 | Journal article
Source: Self-asserted source
Santhosh Kumar Nagarajan

3D-QSAR studies on indole and 7-azoindole derivatives as ROCK-2 inhibitors: An integrative computational approach

Computational Biology and Chemistry
2017 | Journal article
EID:

2-s2.0-85034057694

Contributors: Nagarajan, S.K.; Babu, S.; Sohn, H.; Devaraju, P.; Madhavan, T.
Source: Self-asserted source
Santhosh Kumar Nagarajan via Scopus - Elsevier

Theoretical analysis of somatostatin receptor 5 with antagonists and agonists for the treatment of neuroendocrine tumors

Molecular Diversity
2017 | Journal article
EID:

2-s2.0-85011554830

Contributors: Nagarajan, S.K.; Babu, S.; Madhavan, T.
Source: Self-asserted source
Santhosh Kumar Nagarajan via Scopus - Elsevier

Molecular modeling study on diazine indole acetic acid derivatives for CRTH2 inhibitory activity

Combinatorial Chemistry and High Throughput Screening
2016 | Journal article
EID:

2-s2.0-84975450847

Contributors: Babu, S.; Rupa, M.; Nagarajan, S.K.; Sohn, H.; Madhavan, T.
Source: Self-asserted source
Santhosh Kumar Nagarajan via Scopus - Elsevier

Structural characterization of human CRTh2: A combined homology modeling, molecular docking and 3D-QSAR-based in silico approach

Medicinal Chemistry Research
2016 | Journal article
EID:

2-s2.0-84959462529

Contributors: Babu, S.; Nagarajan, S.K.; Lee, S.H.; Madhavan, T.
Source: Self-asserted source
Santhosh Kumar Nagarajan via Scopus - Elsevier