Welcome to CCG@CUG
The computational chemistry group @ cug is a theoretical and computational chemistry group which carries out theoretical development and computational modeling. The research group is nurtured and governed by Dr. Prakash Chandra Jha. The center focuses on explaining practical phenomena in chemistry, biophysics, biomedical engineering, drug designing, biometrics, nanotechnology and material science through fundamental principles of quantum chemistry, molecular mechanics, thermodynamics and statistical mechanics.
- Congratulations to Anu Manhas who was felicitated by the Best Poster award at National Conference on Applied Materials Science, organized by Centre for Applied Chemistry, Central University of Gujarat, India, 6th to 7th April.
- Congratulations to Anu Manhas who was felicitated by the Best Presentation award at the “International Conference on Frontiers at the Chemistry-Allied Sciences Interface” organised by Centre of Advanced Study, Department of Chemistry held at University of Rajasthan, Jaipur, April 22 to 23 July, 2017.
- Congratulations to Mir Showkat and Hamid Bhat on successfully defending their Ph.D. thesis. CCG@CUG wishes good luck for their upcoming career endeavors.
- Many Congratulation to Haamid Rasool Bhat for publishing his yet another research paper entitled "Selective Complexation of Cyanide and Fluoride Ions with Ammonium Boranes: A Theoretical Study on Sensing Mechanism Involving Intramolecular Charge Transfer and Configurational Changes" in The Journal of Physical Chemistry A (ACS Publishers).
- Very many congratulations to Mohd. Athar and Mohsin Y. Lone for the publication of research works entitled "Structural Investigation of Vinca domain tubulin binders by Pharmacophore, Atom based QSAR, Docking and Molecular Dynamics Simulations" and "Investigation of structural and conformational equilibrium of Oxacalixarene: A density functional theory approach" in Combinatorial Chemistry & High Throughput Screening and Journal of Molecular Liquids respectively.
- Congratulations to Anu Manhas who was felicitated by the Best Poster award at the “International Conference On Drug Designing” organised by Schrodinger, held at Jawaharlal Nehru University (JNU), April 7 to 9th 2017.
- Many Congratulation to Haamid Rasool Bhat for publishing his yet another research paper entitled "Intramolecular Charge Transfer: Mechanism Behind Cyanide Anion Sensing of 3, 5‐Diformyl–borondipyrromethene" in ChemistrySelect.
- Congratulation to Prabodh Ranjan for publishing his computational research work entitled "Exploration of Interaction Zones of β-tubulin Colchicine Binding Domainof Helminths and Binding Mechanism of Anthelmintics" in computational chemistry & biology.
- Congratulation to Haamid Rasool Bhat for publishing another research paper entitled "α‐Cyanostyrenes with Pyrene Scaffold: Unique Emission through Aggregation" in ChemistrySelect.
- Very many congratulations to Mohd. Athar and Mohsin Y. Lone for the publication of research work entitled "First protein drug target’s appraisal of lead-likeness descriptors to unfold the intervening chemical space" in Journal of Molecular Graphics and Modelling.
- Congratulations to Showkat H. Mir for publication of one more decent investigational article entitled "A comparative study of hydrogen evolution reaction on pseudo-monolayer WS2 and PtS2: insights based on the density functional theory" in Catalysis science and technology.
- Many congratulations to Haamid R. Bhat on getting acceptance of the manuscript entitled, 'Cyanide Anion Sensing Mechanism of 1, 3, 5, 7-tetratolyl aza-BODIPY: Intramolecular Charge Transfer and Partial Configuration Change." Chemical Physics Letters (2016).
- Congratulation to Showkat Hassan Mir for getting his work accepted in Applied Physics letters.
- Our hearty felicitations to Showkat Hassan Mir on getting acceptance of the manuscript entitled, ''Static and Dynamical Properties of heavy actinide Monopnictides of Lutetium" for publication in Nature (Scientific reports), 2016.
- Congratulation to Haamid Bhat for getting his manuscript entitled "Synthesis, Structure and Thermolysis of cis-Dialkylplatinum(II) Complexes - Experimental and Theoretical Perceptions, Journal of Organometallic Chemistry, 2016
- Congratulation to Dr. Prakash C. Jha for being selected and participated in UK-India Research Initiative by MHRD, Govt. of India, 2016.
- Congratulation to Dr. Prakash C. Jha for invited at European Union Material Science conference in Europe to present his work in Sept, 2016.
- Our sincere congratulation to Dr. Prakash C. Jha for getting acceptance of his another manuscript entitled "An Organocatalyzed Efficient One-pot Synthesis, Biological Evaluation, and Molecular Docking Studies of 4,4′-(Arylmethylene)bis-(3-methyl-1-phenyl-1H-pyrazol-5-ols) accepted for Journal of heterocyclic chemistry, 2016.
- Congratulations to Mohd. Athar for the acceptance and publication of his paper entitled “Turn-off” fluorescence probe for the selective determination of pendimethalin using mechanistic docking model of novel oxacalixarene" in RSC Advances.
- CCG@CUG extends solemn felicitations to Showkat H. Mir for publication of his research work entitled "Ab initio study of phase stability, lattice dynamics and thermodynamic properties of magnesium chalcogenides" in 'Materials Chemistry and Physics'.
- Congratulations to Mohsin Y. Lone for his couple of acceptances of research articles in ‘Chemistry–An Asian Journal’ and ‘Pigment and Resin Technology’ entitled “Synthesis, Structure and Optical Studies of Energy Donor‐Acceptor Type NIR Aza‐BODIPYs” and “Corrosion inhibition and adsorption behaviour of black pepper extract on pure aluminum in hydrochloric acid medium : A combined experimental and computational study” respectively.
- Good wishes to Dr. Prakash Chandra Jha, Co-convenor of “National conference on Nanotechnology in Agriculture, Energy and Medicine” from CCG group for the successful accomplishment.
- Our sincere congratulations to Anu Manhas for getting her paper accepted in RSC Advances entitled “Molecular modeling of Plasmodium falciparum peptide deformylase and structure-based pharmacophore screening for inhibitors”.
- Felicitations to Mohsin Y. Lone, Prabodh Ranjan and Mohd Athar for their outstanding presentations in 22nd ISCB International Conference “Recent Trends in Affordable and Sustainable Drug Discovery and Developments” at UKA TARSADIA UNIVERSITY, Surat organized by Indian Society of Chemists and Biologists, Lucknow during 6 – 7th February, 2016.
- Many congratulations to Anu Manhas on wonderful accomplishment of her M.Phil Dissertation work entitled "Exploration of Novel Antimalarials of Peptide Deformylase: An In-silico Approach". Head up, chin up and always proud to be a girl. See what place your confidence has taken you. All the best for her future.
- CCG@CUG extend warm congratulations to Mohd Athar for the recent acceptance of research article entitled "Efficiently functionalized oxacalixarenes: synthesis, characterization and exploration of their biological profile as novel HDAC inhibitors" in BMCL.
- Congratulations to Prabodh Ranjan for the acceptance of research Article in “RSC Advances” entitled Evaluation of Imidazolium-based Ionic Liquids towards Vermicidal Activity: In vitro & In silico studies.
- Congratulations to Mohsin Yousuf Lone for his paper acceptance in “Polyhederon” entitled "Role of N-Donor Groups on Stability of Hydrazide Based Hypercoordinate Silicon(IV) Complexes: Theoretical and Experimental Perceptions".
- Congratulations to Mohsin Yousuf Lone for his paper acceptance in “Dalton Transactions” entitled Bridged Bis-BODIPYs: Synthesis, Structures and Properties.
- Congratulations to Mohd Athar and Mohsin Yousuf Lone for their paper acceptance in “Journal of Biological Structure and Dynamics” entitled Pharmacophore Model Prediction, 3D-QSAR and Molecular Docking studies on Vinyl Sulfones Targeting Nrf2-Mediated Gene Transcription intended for Anti-Parkinson Drug Design.
- Congratulations to Mr. Haamid Rasool Bhat for getting the first position in presentation competition on "Molecular Docking and Analysis" in "5th National Level Workshop on Computer Aided Drug Designing" held on 13th- 15th March 2015 organized by RASA Life Science Informatics and Padmashree Dr. D.Y. PATIL Institute of Pharmacy and Engineering.
- Congratulations to Mr. Mohd Athar for getting the DST INSPIRE FELLOWSHIP.