Hemant Kumar Srivastava

Peptide-like and small-molecule inhibitors against Covid-19

Journal of Biomolecular Structure and Dynamics · 2021 · journal article

Benchmarking of different molecular docking methods for protein-peptide docking

BMC Bioinformatics · 2019 · journal article

Molecular Dynamics Investigation on a Series of HIV Protease Inhibitors: Assessing the Performance of MM-PBSA and MM-GBSA Approaches

Journal of Chemical Information and Modeling · 1970 · journal article

Phosphine-Free Well-Defined Mn(I) Complex-Catalyzed Synthesis of Amine, Imine, and 2,3-Dihydro-1H-perimidine via Hydrogen Autotransfer or Acceptorless Dehydrogenative Coupling of Amine and Alcohol

Organometallics · 2019 · journal article

Quinazolinone linked pyrrolo[2,1-c][1,4]benzodiazepine (PBD) conjugates: Design, synthesis and biological evaluation as potential anticancer agents

Bioorganic and Medicinal Chemistry · 1970 · journal article

Genetic component and combining ability analyses in relation to heterosis for yield and associated traits using three diverse rice-growing ecosystems

2004

Calculation of transition dipole moment in fluorescent proteins - Towards efficient energy transfer

Physical Chemistry Chemical Physics · 1970 · journal article

DFT-based QSAR study of testosterone and its derivatives

Bioorganic and Medicinal Chemistry · 1970 · journal article

Selective Catalytic Synthesis of α-Alkylated Ketones and β-Disubstituted Ketones via Acceptorless Dehydrogenative Cross-Coupling of Alcohols

Organic Letters · 2021 · journal article

Comparative QSAR study of phenol derivatives with the help of density functional theory

Bioorganic and Medicinal Chemistry · 1970 · journal article

Comparison of Computational Methods to Model DNA Minor Groove Binders

Journal of Chemical Information and Modeling · 1970 · journal article

Eigenstate resolved infrared–infrared double-resonance study of intramolecular vibrational relaxation in benzene: First overtone of the CH stretch

1997

Viability of Clathrate Hydrates as CO(2) Capturing Agents: A Theoretical Study

Journal of Physical Chemistry A · 1970 · journal article

Solvent-Free N-Alkylation and Dehydrogenative Coupling Catalyzed by a Highly Active Pincer-Nickel Complex

Organometallics · 2020 · journal article

N–Alkylation of Amines Catalyzed by a Ruthenium–Pincer Complex in the Presence of in situ Generated Sodium Alkoxide

European Journal of Organic Chemistry · 2019 · journal article

Intramolecular vibrational redistribution in aromatic molecules. I. Eigenstate resolved CH stretch first overtone spectra of benzene

2000

Metal-Free Sequential C(sp2)–H/OH and C(sp3)–H Aminations of Nitrosoarenes and N-Heterocycles to Ring-Fused Imidazoles

Organic Letters · 2017 · journal article

Atomic softness-based QSAR study of testosterone

International Journal of Quantum Chemistry · 1970 · journal article

Selective and high yield transformation of glycerol to lactic acid using NNN pincer ruthenium catalysts

Chemical Communications · 1970 · journal article

Iron-Catalyzed Arene C–H Amidation Using Functionalized Hydroxyl Amines at Room Temperature

ACS Catalysis · 2018 · journal article

pH-Regulated anion transport activities of bis(iminourea) derivatives across the cell and vesicle membrane

Organic & Biomolecular Chemistry · 1970 · journal article

Efficient Pincer‐Ruthenium Catalysts for Kharasch Addition of Carbon Tetrachloride to Styrene

Advanced Synthesis & Catalysis · 2019 · journal article

QSAR study of estrogens with the help of PM3-based descriptors

International Journal of Quantum Chemistry · 1970 · journal article

Analogue-based approaches in anti-cancer compound modelling: the relevance of QSAR models.

Organic and medicinal chemistry letters · 2011 · journal article

Adaptation in oxidative metabolism of Trypanosoma rhodesiense during transformation in culture

1971

Secondary amine salt catalyzed controlled activation of 2-deoxy sugar lactols towards alpha-selective dehydrative glycosylation

Organic & Biomolecular Chemistry · 1970 · journal article

Energy Decomposition Analysis of Cation-pi, Metal Ion-Lone Pair, Hydrogen Bonded, Charge-Assisted Hydrogen Bonded, and pi-pi Interactions

Journal of Computational Chemistry · 1970 · journal article

Intramolecular vibrational relaxation in aromatic molecules. 2: An experimental and computational study of pyrrole and triazine near the IVR threshold

2003

Phosphine-free pincer-ruthenium catalyzed biofuel production: high rates, yields and turnovers of solventless alcohol alkylation

Catalysis Science & Technology · 1970 · journal article

Synthesis of bis-1,2,3-triazolo-bridged unsymmetrical pyrrolobenzodiazepine trimers via 'click' chemistry and their DNA-binding studies

Tetrahedron · 1970 · journal article

Intergenomic Interaction, Heterosis, and Improvement of Crop Yield

1981

ADAPTATIONS IN OXIDATIVE METABOLISM DURING THE TRANSFORMATION OF TRYPANOSOMA RHODESIENSE FROM BLOODSTREAM INTO CULTURE FORM

1972

Visible-Light-Mediated Ir(III)-Catalyzed Concomitant C3 Oxidation and C2 Amination of Indoles

Organic Letters · 2019 · journal article

tert-Butyl Nitrite Mediated Synthesis of 1,2,4-Oxadiazol-5(4H)-ones from Terminal Aryl Alkenes

Organic Letters · 2019 · journal article

Nuclear control and mitochondrial transcript processing with relevance to cytoplasmic male sterility in higher plants.

2000

Lithostratigraphy of Bagh Beds and its correlation with Lameta Beds

1981

Stereospecific Assembly of Fused Imidazolidines via Tandem Ring Opening/Oxidative Amination of Aziridines with Cyclic Secondary Amines Using Photoredox Catalysis.

Organic letters · 2019 · journal article

Trisulfides over disulfides: highly selective synthetic strategies, anti-proliferative activities and sustained H2S release profiles

Chemical Communications · 1970 · journal article

Geometry-Driven Iminosemiquinone Radical to Cu(II) Electron Transfer and Stabilization of an Elusive Five-Coordinate Cu(I) Complex: Synthesis, Characterization, and Reactivity with KO2

Inorganic Chemistry · 2019 · journal article

DFT Based Atomic Softness and Its Application in Site Selectivity

2003

Rovibrational spectroscopy of the v=6 manifold in C212H2 and C213H2

2000

Can DFT Methods Correctly and Efficiently Predict the Coordination Number of Copper(I) Complexes? A Case Study

Journal of Computational Chemistry · 1970 · journal article

Semiempirical QSAR study and ligand receptor interaction of estrogens

Molecular Diversity · 1970 · journal article

Artificially expanded genetic information systems (AEGISs) as potent inhibitors of the RNA-dependent RNA polymerase of the SARS-CoV-2

Journal of Biomolecular Structure and Dynamics · 2022 · journal article

A web server for analysis, comparison and prediction of protein ligand binding sites

Biology Direct · 2016 · journal article

The Efficacy of Conceptual DFT Descriptors and Docking Scores on the QSAR Models of HIV Protease Inhibitors

Medicinal Chemistry · 2012 · journal article

Heterosis and Intergenomic Complementation: Mitochondria, Chloroplast, and Nucleus

1983

QSTR study of small organic molecules against Tetrahymena pyriformis

QSAR and Combinatorial Science · 1970 · journal article

Modeling antimalarial and antihuman African trypanosomiasis compounds: a ligand- and structure-based approaches

Molecular Diversity · 2020 · journal article

Eigenstate resolved infrared and millimeter-wave–infrared double resonance spectroscopy of methylamine in the N–H stretch first overtone region

1999

Adsorption of Various Monoterpenoids on the Surface of Graphene and Nitrogen-Doped Graphene: A DFT Based Study

ChemistrySelect · 2017 · journal article

Exceptional control on physical properties of a polymeric material through alcoholic solvent-mediated environment-friendly Michael addition reaction

Green Chemistry · 1970 · journal article

Analysis of Raman trace scattering intensities in alkanes with the theory of atoms in molecules

1993

Synthesis of β- and γ-lactam fused dihydropyrazinones from Ugi adducts via a sequential ring construction strategy

Chemical Communications · 1970 · journal article

Alkali metal-ion assisted Michael addition reaction in controlled tailoring of topography in a superhydrophobic polymeric monolith

Journal of Materials Chemistry A · 1970 · journal article

Efficient estimation of MMGBSA-based BEs for DNA and aromatic furan amidino derivatives

Journal of Biomolecular Structure & Dynamics · 1970 · journal article

Molecular polarizability and polarizability derivatives in cyclohexane analyzed with the theory of atoms in molecules

1994

Carbon monoxide‐reactive haemoproteins in parasitic flagellate <i>Crithidia oncopelti</i>

1971

Evaluation of protein-ligand docking methods on peptide-ligand complexes for docking small ligands to peptides

2017 · other

Modeling Anti-HIV Compounds: The Role of Analogue-Based Approaches

Current Computer Aided-Drug Design · 2012 · journal article

Metabolic Transformation of Trypanosoma rhodesiense in Culture

1972

Stereospecific Al-Catalysed Tandem C−N /C−Se Bond Formation of Isoselenocyanates with Aziridines: Synthesis and DFT Study

Advanced Synthesis & Catalysis · 2019 · journal article

DFT Based Electrophilicity Index and QSAR study of Phenols as Anti Leukaemia Agent

American Journal of Immunology · 2006 · journal article

Effects of seed irradiation on yield and quality of essential oil in palmarosa (Cymbopogon martinii Stapf.)

1986

Novel applications of atomic softness and QSAR study of testosterone derivatives

Medicinal Chemistry Research · 1970 · journal article

Electronic Charge Flow and Raman Trace Scattering Intensities for CH Stretching Vibrations in<i>n</i>-Pentane

1996

Increased chiasma frequency in some hybrids of pearl millet

1977

Governance of Gene Action and Combining Ability for Certain Grain Quality Traits in Three Diverse Rice (<i>Oryza sativa</i>L.) Growing Ecosystems

2003

Microstructure of nickel electrodeposited from a nickel sulfamate/formamide bath

1995

Syncytes With Premeiotic Mitotic and Cytomictic Comportment in Opium Poppy (Papa Ver Somniferum L.)

1987

Correlation between chiasma frequency and quantitative traits in upland cotton (Gossypium hirsutum L.)

1980

Formation of diethyl 2-amino-1-cyclopentenylphosphonates: A simple synthesis with a unique mechanism

Journal of Organic Chemistry · 1970 · journal article

Honeybees foraging response in genetically diversified opium poppy

2005

Electrodeposition of Nickel from N,N-dimethylformamide

1987

Heterosis for chiasma frequency and quantitative traits in common beans (Phaseolus vulgaris L.)

1980

Stereoelectronic Effect of Curved Aromatic Structures: Favoring the Unexpected endo Conformation of Benzylic-Substituted Sumanene

Angewandte Chemie-International Edition · 1970 · journal article

Comparison of amine-induced cyclization of 6-chloro-1-hexynylphosphonate and isobutyl 7-chlorohept-2-ynoate

Tetrahedron · 1970 · journal article

Electrical Power Generation from the Contrasting Interfacial Activities of Boron- and Nitrogen-Doped Reduced Graphene Oxide Membranes

ACS Applied Nano Materials · 2019 · journal article

Influence of the Local Chemical Environment in the Formation of Multicomponent Crystals of L-Tryptophan with N-Heterocyclic Carboxylic Acids: Unusual Formation of Double Zwitterions

Crystal Growth & Design · 2017 · journal article

Novel application of softness parameter for regioselectivity and reaction mechanism

2004

Induced Mutants in M₂Generation and Selection for Enhanced Essential Oil Yield and Quality in Palmarosa (<i>Cymbopogon martinii</i>, Roxb.) Wats., var.<i>martinii</i>

2000

B Chromosomes in Spontaneous and Induced Intercellular Chromosome Migration of Papaver Somniferum L

1988

Mitochondrial Complementation and Hybrid Vigour

1972

Rational design of <scp>pincer‐nickel</scp> complexes for catalytic cyanomethylation of benzaldehyde: A systematic <scp>DFT</scp> study

2021

Productive Association of Quantitative Traits in Diverse Ecotypes of Rice (<i>Oryza sativa</i>L.)

2005

Mitochondria-Nuclear Interaction in Male Sterility and Heterosis for Productivity Enhancement in Crop Plants

2004

Nuclear and Cytoplasmic Diversity in Manifestation of Disease Control and Genepool Conservation for Sustainable Crop Productivity

2002

A sub-Doppler resolution double resonance molecular beam infrared spectrometer operating at chemically relevant energies (∼2 eV)

2000

Induction of Mutations for Enhanced Essential Oil in Palmarosa<i>(Cymbopogon martinii)</i>

1998

Phenotypic Patterns in Relation to Herbage and Oil Yield in Cymbopogon martini Wats. var. motia Burk

1988

Effect of NH&lt;SUB&gt;4&lt;/SUB&gt;&lt;SUP&gt;+&lt;/SUP&gt; and Co&lt;SUP&gt;++&lt;/SUP&gt; Ions on the Hardening of Electrodeposited Nickel from Nickel Acetate in Amide Solvents

1987

Effects of Ethephon on Growth and Oil Yield of Palmarosa (<i>Cymbopogon martinii</i>Wats.)

1998

Bright and hard electrodeposits of nickel from nickel acetate—formamide bath

1988

Duration of the mitotic cycle and its component phases in Brassica juncea

1978

Structure and stability of the <scp>sH</scp> binary hydrate cavity and <scp>host‐guest</scp> versus <scp>guest‐guest</scp> interactions therein: A <scp>DFT</scp> approach

2023

Heterosis and Segregation Distortion for Grain Quality Traits Using Diverse Genotypes in Rice (<i>Oryza sativa</i>L.)

2005

Erratum: “Intramolecular vibrational redistribution in aromatic molecules. I. Eigenstate resolved CH stretch first overtone spectra of benzene” [J. Chem. Phys. <b>113</b>, 10583 (2000)]

2001

Mitochondrial Genome with Special Reference to Male Sterility

2024

Chemical Induced Vigour for Heterotic Effects on Yield and Quality of Essential Oil in Palmarosa (<i>Cymbopogon martinii</i>Wats)

2001

Correlation between the main yield components and fibre quality in three commercial varieties of cotton (Gossypium hirsutum L.).

1980

Some Molecular Aspects of Mitochondrial Complementation and Heterosis

1973

Analogue and structure based approaches for modelling HIV-1 integrase inhibitors

2023

Service Selection using Ethereum

2021

Electrodeposition of nickel from dimethyl sulphoxide bath : Effect of nucleoside

2008

Reproductive and Breeding Behaviour of Palmarosa (Cymbopogon Martinii Wats)

1988

Mobile Genes of Mitochondria and Cytoplasmic Male Sterility

1985

Radiation induced variability in quantitative traits of jowar (Sorghum vulgare, Snow)

1975

Cytological studies in normal and mutagen treated strains of Triticale (Triticale hexaploide)

1974

Mutations in plants

1973

Effects of gamma-irradiation on growth and energy metabolism of wheat seedling.

1973

Second-order diffusion of electrons in ionized gases

1966

Nonlinear thermal diffusion of electrons in ionized gases

1966

CCDC 2047904: Experimental Crystal Structure Determination

2021

CCDC 1986711: Experimental Crystal Structure Determination

2020

CCDC 1986710: Experimental Crystal Structure Determination

2020

CCDC 2009680: Experimental Crystal Structure Determination

2020

CCDC 1998012: Experimental Crystal Structure Determination

2020

CCDC 1913386: Experimental Crystal Structure Determination

2020

CCDC 1905588: Experimental Crystal Structure Determination

2019

CCDC 1905587: Experimental Crystal Structure Determination

2019

CCDC 1905589: Experimental Crystal Structure Determination

2019

CCDC 1937816: Experimental Crystal Structure Determination

2019

CCDC 1937814: Experimental Crystal Structure Determination

2019

CCDC 1867474: Experimental Crystal Structure Determination

2019

CCDC 1867473: Experimental Crystal Structure Determination

2019

CCDC 1867475: Experimental Crystal Structure Determination

2019

CCDC 1911236: Experimental Crystal Structure Determination

2019

CCDC 1901162: Experimental Crystal Structure Determination

2019

CCDC 1881759: Experimental Crystal Structure Determination

2019

Storage capacity of clathrate hydrates for storing small molecules

2018

CCDC 1584169: Experimental Crystal Structure Determination

2018

CCDC 1814278: Experimental Crystal Structure Determination

2018

CCDC 1814276: Experimental Crystal Structure Determination

2018

CCDC 1814274: Experimental Crystal Structure Determination

2018

Computational techniques for designing new lead molecules in the process of drug discovery

2017

CCDC 1537895: Experimental Crystal Structure Determination

2017

CCDC 1536911: Experimental Crystal Structure Determination

2017

CCDC 1536902: Experimental Crystal Structure Determination

2017

CCDC 1536912: Experimental Crystal Structure Determination

2017

CCDC 1537896: Experimental Crystal Structure Determination

2017

CCDC 1536910: Experimental Crystal Structure Determination

2017

Additional file 1: Figure S1. of A web server for analysis, comparison and prediction of protein ligand binding sites

2016

QSAR Study Of Fluorovinyloxyacetamide And Its Derivatives With PM3 Parameterization

2006

A SUB-DOPPLER RESOLUTION DOUBLE RESONANCE MOLECULAR BEAM INFRARED SPECTROMETER OPERATING AT $\sim 2eV$: INVESTIGATION OF HCN AND HCCH

2000

REGULAR VS. CHAOTIC INTRAMOLECULAR DYNAMICS IN THE FIRST CH STRETCHING OVERTONE OF AROMATIC MOLECULES

1998

ROTATIONALLY-RESOLVED C-H STRETCH OVERTONE SPECTROSCOPY IN SUBSTITUTED ACETYLENES EMBEDDED IN He CLUSTERS: INTERNAL VS EXTERNAL VIBRATIONAL RELAXATION

1998

EIGENSTATE RESOLVED DOUBLE RESONANCE STUDY OF BENZENE INTRAMOLECULAR VIBRATIONAL ENERGY REDISTRIBUTION IN THE C-H STRETCH FIRST OVERTONE REGION: A GOOD CANDIDATE FOR A SUCCESSFUL TIER MODEL ANALYSIS.

1997

HIGH RESOLUTION MOLECULAR BEAM SPECTROSCOPY OF THE HCNS DIMER IN THE 1.5 $\mu m$ REGION. REINVESTIGATION OF THE $\nu_{1}+\nu_{2}$ BAND AND COMPARISON WITH THEORY.

1997

EIGENSTATE RESOLVED INFRARED SPECTRUM OF THE C-H STRETCHING FIRST OVERTONE REGION OF $s$-TETRAZINE

1997

EIGENSTATE RESOLVED INFRARED SPECTROSCOPY OF PYRROLE IN THE C-H STRETCH OVERTONE REGION

1997

EIGENSTATE RESOLVED INFRARED SPECTROSCOPY OF 1,1,1,-$d_{3}$-ETHANE IN THE REGION AROUND $5900 CM^{-1}$

1996

EIGENSTATE RESOLVED INFRARED AND INFRARED-INFRARED DOUBLE RESONANCE STUDY OF BENZENE VIBRATIONAL RELAXATION IN THE C-H STRETCH FIRST OVERTONE REGION

1996

Biotechnological approaches to crop production.

1993

Example of large volume loss in ductile shear zones

1992

Current Status of Forest Biotechnology

1991

Physico-mechanical properties of nickel electrodeposited from nickel acetate–amide baths

1989

Genetic Engineering of Tree Species

1989

Hydro Electric Power Development in Uttar Pradesh

1987

Strain Analysis in the Basal Unit of Delhi Supergroup in Kishangarh Area (Rajasthan): As Deduced from Deformed Pebbles

1986

Mitochondrial Dna Plasmid—a Potential Cloning Vector For Genetic Engineering in Crop Plants*

1985

Chiasma frequency and heterosis in common beans (phaseolus vulgaris l.)

1981

Meiotic stability and kernel fertility in hexaploid triticale (X Triticosecale Wittmack) following combined mutagen treatment.

1980

A comparative QSPR study of alkanes with the help of computational chemistry

Bulletin of the Korean Chemical Society · 1970 · journal article

Novel application of softness parameter for regioselectivity and reaction mechanism

Indian Journal of Chemistry - Section B Organic and Medicinal Chemistry · 1970 · journal article

DFT Based Atomic Softness and Its Application in Site Selectivity

QSAR and Combinatorial Science · 1970 · journal article

Dependence of Lorentz number on chemical kinetic potential

1966