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Jayaraman Chandrasekhar

Jayaraman Chandrasekhar

D-Index & Metrics

Chemistry

D-Index
57
Citations
66498
World Ranking
10901
National Ranking
164

Overview

Jayaraman Chandrasekhar is affiliated with the Indian Institute of Science in India. Their research spans multiple areas within chemistry and medicine, focusing notably on organic chemistry, pharmacology, and molecular biology.

The scientist has contributed to studying axial and atropisomeric chirality synthesis, molecular spectroscopy and chirality, chemical synthesis and alkaloids, mast cells and histamine, monoclonal and polyclonal antibodies research, drug-induced adverse reactions, and the synthesis of organic compounds.

Frequent publication venues for their work include ACS Medicinal Chemistry Letters, Accounts of Chemical Research, and Frontiers in Drug Discovery.

Frequent co-authors collaborating with Jayaraman Chandrasekhar include Stéphane Perreault, Leena Patel, Peter Blomgren, Julie A. Di Paolo, and Wanchi Fung.

Their recent papers cover a range of topics, including:

  • Atropisomerism in Drug Discovery: A Medicinal Chemistry Perspective Inspired by Atropisomeric Class I PI3K Inhibitors (2022) in Accounts of Chemical Research
  • Discovery of Lanraplenib (GS-9876): A Once-Daily Spleen Tyrosine Kinase Inhibitor for Autoimmune Diseases (2020) in ACS Medicinal Chemistry Letters
  • Discovery of an Atropisomeric PI3Kβ Selective Inhibitor through Optimization of the Hinge Binding Motif (2020) in ACS Medicinal Chemistry Letters
  • Enhanced utility of AI/ML methods during lead optimization by inclusion of 3D ligand information (2022) in Frontiers in Drug Discovery

Best Publications

  • Comparison of simple potential functions for simulating liquid water

    William L. Jorgensen;Jayaraman Chandrasekhar;Jeffry D. Madura;Roger W. Impey

  • Efficient diffuse function‐augmented basis sets for anion calculations. III. The 3‐21+G basis set for first‐row elements, Li–F

    Timothy Clark;Jayaraman Chandrasekhar;Günther W. Spitznagel;Paul Von Ragué Schleyer

  • Energy component analysis for dilute aqueous solutions of lithium(1+), sodium(1+), fluoride(1-), and chloride(1-) ions

    Jayaraman Chandrasekhar;David C. Spellmeyer;William L. Jorgensen

  • THEORETICAL EXAMINATION OF THE SN2 REACTION INVOLVING CHLORIDE ION AND METHYL CHLORIDE IN THE GAS PHASE AND AQUEOUS SOLUTION

    J. Chandrasekhar;S. F. Smith;W. L. Jorgensen

  • PDDG/PM3 and PDDG/MNDO: improved semiempirical methods.

    Matthew P. Repasky;Jayaraman Chandrasekhar;William L. Jorgensen

  • Efficient and accurate calculation of anion proton affinities

    Jayaraman Chandrasekhar;Juan G. Andrade;Paul von Rague Schleyer

  • Stabilization of methyl anions by first‐row substituents. The superiority of diffuse function‐augmented basis sets for anion calculations

    Günther W. Spitznagel;Timothy Clark;Jayaraman Chandrasekhar;Paul Von Ragué Schleyer

  • A theoretical survey of unsaturated or multiply bonded and divalent silicon compounds. Comparison with carbon analogs

    B. T. Luke;J. A. Pople;M. B. Krogh-Jespersen;Y. Apeloig

  • Magnitude and origin of the .beta.-silicon effect on carbenium ions

    Scott G. Wierschke;Jayaraman Chandrasekhar;William L. Jorgensen

  • SN2 reaction profiles in the gas phase and aqueous solution

    Jayaraman Chandrasekhar;Scott F. Smith;William L. Jorgensen

  • The important role of heteroaromatics in the design of efficient second-order nonlinear optical molecules: Theoretical investigation on push-pull heteroaromatic stilbenes

    Pushkara Rao Varanasi;Alex K.-Y. Jen;J. Chandrasekhar;I. N. N. Namboothiri

  • QM/MM Simulations for Diels−Alder Reactions in Water: Contribution of Enhanced Hydrogen Bonding at the Transition State to the Solvent Effect†

    Jayaraman Chandrasekhar;Shane Shariffskul;William L. Jorgensen

  • A theoretical survey of singly bonded silicon compounds. Comparison of the structures and bond energies of silyl and methyl derivatives

    B. T. Luke;J. A. Pople;M. B. Krogh-Jespersen;Y. Apeloig

  • Energy profile for a nonconcerted SN2 reaction in solution

    Jayaraman Chandrasekhar;William L. Jorgensen

  • Double aromaticity: aromaticity in orthogonal planes. The 3,5-dehydrophenyl cation.

    Jayaraman Chandrasekhar;Eluvathingal D. Jemmis;Paul von Ragué Schleyer

  • Atropisomerism in Drug Discovery: A Medicinal Chemistry Perspective Inspired by Atropisomeric Class I PI3K Inhibitors.

    Unknown

  • THE NATURE OF DILUTE SOLUTIONS OF SODIUM ION IN WATER, METHANOL, AND TETRAHYDROFURAN

    J. Chandrasekhar;W. L. Jorgensen

  • Theoretical study of silylene insertion into nitrogen-hydrogen, oxygen-hydrogen, fluorine-hydrogen, phosphorus-hydrogen, sulfur-hydrogen, and chlorine-hydrogen bonds

    Krishnan Raghavachari;Jayaraman Chandrasekhar;Mark S. Gordon;Ken Dykema

  • Double Aromaticity in the 3,5-Dehydrophenyl Cation and in Cyclo[6]carbon

    Paul v. R. Schleyer;Haijun Jiao;Mikhail N. Glukhovtsev;Jayaraman Chandrasekhar

  • Ab initio study of acid-base interactions. Proton, lithium, and sodium affinities of first- and second-row bases

    Scott F. Smith;Jayaraman Chandrasekhar;William L. Jorgensen

  • Ground and Excited State Intramolecular Proton Transfer in Salicylic Acid: an Ab Initio Electronic Structure Investigation

    Shruti Maheshwari;Arindam Chowdhury;Narayanasami Sathyamurthy;Hirdyesh Mishra

Frequent Co-Authors

Paul v. R. Schleyer
Paul v. R. Schleyer University of Georgia
Goverdhan Mehta
Goverdhan Mehta University of Hyderabad
William L. Jorgensen
William L. Jorgensen Yale University
Vaidhyanathan Ramamurthy
Vaidhyanathan Ramamurthy University of Miami
Raghavan B. Sunoj
Raghavan B. Sunoj Indian Institute of Technology Bombay
Shridhar R. Gadre
Shridhar R. Gadre Savitribai Phule Pune University
Helmut Schwarz
Helmut Schwarz Technical University of Berlin
John A. Pople
John A. Pople Stanford University
Yitzhak Apeloig
Yitzhak Apeloig Technion – Israel Institute of Technology
Eluvathingal D. Jemmis
Eluvathingal D. Jemmis Indian Institute of Science

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