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Molecular Property Diagnostic Suite (MPDSTB 1.0.1)

IICT, IMTECH, NCL, CLRI, NIPER, JNU, BBAU
Hosted at Centre for Molecular Modeling, CSIR-IICT, Hyderabad
http://cmm.osdd.net/gnsmmg
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HOME MPDS PEOPLE MANUAL CONTACT CITATION

            

Dr. G.N. Sastry

Chief Scientist and Head

Centre of Molecular Modeling

CSIR - Indian Institute of Chemical Technology

Hyderabad, India -500007

Phone:+91-40-27193016

Fax: +91-40-27160512

E-mail: gnsastry@iict.res.in; gnsastry@gmail.com

 

Research Interests: 

Non-Bonded Interactions, Computer-Aided

Drug Design, Theoretical Organic Chemistry,

Multiscale Modeling and Dynamics, Database Development

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Dr. G.P.S Raghava

Scientist and Head

Bioinformatics Centre

CSIR- Institute of Microbial Technology

Chandigarh, India-160036

Phone: +91-172-2690557

Fax: +91-172-2690585

E-mail:raghava@imtech.res.in

 

Research Interests: 

Protein Structure Prediction, Gene Prediction and Genome Annotation, Prediction of T-Cell Epitopes, Bio-Computing

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Dr. Anshu Bharadwaj

Institute of Genomics and Integrative Biology

Phone:+91-11-27666156 extn 121

Email: anshu@igib.res.in

 

Research Interests:

Genetic variation: Understanding the causes and effects of genetic variation in two model systems, namely, nuclear and mitochondrial genome, Pathway annotation and Host-pathogen interactions: Understanding pathways of Mycobacterium tuberculosis (Mtb) to understand its uniqueness, Development of novel tools in the community driven annotation of the TB genome under OSDD.

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Prof. PV Bharatam

Department of Medicinal Chemistry

National Institute of Pharmaceutical Education and Research, NIPER

Mohali, India - 160 062

Punjab, India

Phone: +91-172-2214682-86 Extn. 2018

Fax: +91-172-2214692

E-mail: pvbharatam@niper.ac.in

 

Research Interests: 

Computer aided drug design, Anti-diabetic agent design, NO releasing agents, GSK3, PPARg, AMPK agent design, Studies on Drug Action, Electronic Structure Studies of drugs, Chemoinformatics, Bioinformatics, Synthesis of PPARg agents, Pharmacoinformatics

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Dr. V Subramanian

Principal Scientist

ChemicalLab

CSIR- Central Leather Research Institute

Chennai, India 600020

Phone:+ 91- 44-24411630

Fax: +91- 44- 24911589

Email: subbu@clri.res.in

 

Research Interests:

Theoretical and Computational Quantum Chemistry, Electronic structure calculations using conventional Ab initio and DFT based methods, Molecular structure of weak complexes and hydrogen bonded clusters and its characterization using the theory of Atoms in Molecule (AIM), Molecular self assembly, molecular electrostatic potential, molecular solvation, development of chemical reactivity descriptors, Applications of molecular mechanics and molecular dynamics methods to polymers and biopolymers, QSAR and biological activity and toxicity prediction.

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Dr. Andrew Lynn

Associate Professor

School of Computational and Integrative Sciences

Jawaharlal Nehru University

New Delhi, India - 110067

Phone: 91-11-26717568

Email: andrew@mail.jnu.ac.in

Research Interests:

Biochemistry, Bioinformatics, Computational Biology, Structural Biology, Biophysics

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Dr. M Karthikeyan

Scientist Information Division

CSIR-National Chemical Laboratory

Pune, India - 411008

Phone:+ 91- 20-25893457

Fax: +91-20-25893973

E-mail: m.karthikeyan@ncl.res.in

 

Research Interests:

Organic Chemistry, Molecular Informatics, Chemoinformatics, Bioinformatics & Computational Chemistry, Drug Design and Virtual Screening, Computational Industrial Risk Assessments

            

Dr. Devesh Kumar

Associate Professor

Department of Applied Physics

School for Physical Sciences

Baba Saheb Bhimrao Ambedkar University

Lucknow, India -226025

Phone: + 91-522-2440822

Fax: + 91-522-2440821

Email: dkclcre@yahoo.com

 

Research Interests: 

Studies of the reactivity of organic substrates with metalloenzymes or biomimetic catalysts using quantum chemistry, electronic structure and spectra, quantum and molecular mechanics and simulations of intermolecular interactions in mesogens and biological molecules

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Dr. UC Abdul Jaleel

Associate Professor

Principal Investigator of the OSDD chemoinformatics

Phone: + 91 9349480381

E-mail: jaleel.uc@gmail.com

 

 

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Core developers

Co-developers

Open Science:

We like to work together as an Open Source Initiative.