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Items: 1 to 50 of 462

1.

First report of Glucose-6-phosphate dehydrogenase (G6PD) variants (Mahidol and Acores) from malaria-endemic regions of northeast India and their functional evaluations in silico.

Bharti RS, Vashisht K, Ahmed N, Nayak A, Pande V, Mishra N.

Acta Trop. 2019 Oct 31:105252. doi: 10.1016/j.actatropica.2019.105252. [Epub ahead of print]

PMID:
31678235
2.

Descriptors for Electrolyte-Renormalized Oxidative Stability of Solvents in Lithium-Ion Batteries.

Pande V, Viswanathan V.

J Phys Chem Lett. 2019 Nov 1:7031-7036. doi: 10.1021/acs.jpclett.9b02717. [Epub ahead of print]

PMID:
31647239
3.

Clinicopathological study of potential biomarkers of Plasmodium falciparum malaria severity and complications.

Bhardwaj N, Ahmed MZ, Sharma S, Srivastava B, Pande V, Anvikar AR.

Infect Genet Evol. 2019 Oct 18;77:104046. doi: 10.1016/j.meegid.2019.104046. [Epub ahead of print]

PMID:
31634641
4.

Transcriptional Modulation of the Host Immunity Mediated by Cytokines and Transcriptional Factors in Plasmodium falciparum-Infected Patients of North-East India.

Ahmed MZ, Bhardwaj N, Sharma S, Pande V, Anvikar AR.

Biomolecules. 2019 Oct 11;9(10). pii: E600. doi: 10.3390/biom9100600.

5.

Preparation of 4'-Spirocyclobutyl Nucleoside Analogues as Novel and Versatile Adenosine Scaffolds.

Verhoeven J, De Vleeschouwer F, Kong H, Van Hecke K, Pande V, Sun W, Vos A, Wu T, Meerpoel L, Thuring JW, Verniest G.

Chemistry. 2019 Oct 14. doi: 10.1002/chem.201904574. [Epub ahead of print]

PMID:
31609050
6.

A modular DNA scaffold to study protein-protein interactions at single-molecule resolution.

Kostrz D, Wayment-Steele HK, Wang JL, Follenfant M, Pande VS, Strick TR, Gosse C.

Nat Nanotechnol. 2019 Oct;14(10):988-993. doi: 10.1038/s41565-019-0542-7. Epub 2019 Sep 23.

PMID:
31548690
7.

Expression of immune genes in Indian major carp, Catla catla challenged with Flavobacterium columnare.

Ravindra, Pradhan PK, Paria A, Pande V, Verma DK, Arya P, Rathore G, Sood N.

Fish Shellfish Immunol. 2019 Nov;94:599-606. doi: 10.1016/j.fsi.2019.09.052. Epub 2019 Sep 19.

PMID:
31542493
8.

C-reactive protein as a prognostic marker of Plasmodiumfalciparum malaria severity.

Bhardwaj N, Ahmed MZ, Sharma S, Nayak A, Anvikar AR, Pande V.

J Vector Borne Dis. 2019 Apr-Jun;56(2):122-126. doi: 10.4103/0972-9062.263727.

9.

Foliar Application of Iron Fortified Bacteriosiderophore Improves Growth and Grain Fe Concentration in Wheat and Soybean.

Sharma S, Chandra S, Kumar A, Bindraban P, Saxena AK, Pande V, Pandey R.

Indian J Microbiol. 2019 Sep;59(3):344-350. doi: 10.1007/s12088-019-00810-4. Epub 2019 Jun 8.

PMID:
31388212
10.

Genetic diversity and population structure of the threatened chocolate mahseer (Neolissochilus hexagonolepis McClelland 1839) based on SSR markers: implications for conservation management in Northeast India.

Sharma L, Ali S, Siva C, Kumar R, Barat A, Sahoo PK, Pande V.

Mol Biol Rep. 2019 Oct;46(5):5237-5249. doi: 10.1007/s11033-019-04981-7. Epub 2019 Jul 19.

PMID:
31325143
11.

Metacaspase-3 of Plasmodium falciparum: An atypical trypsin-like serine protease.

Kumar B, Verma S, Kashif M, Sharma R, Atul, Dixit R, Singh AP, Pande V, Saxena AK, Abid M, Pandey KC.

Int J Biol Macromol. 2019 Oct 1;138:309-320. doi: 10.1016/j.ijbiomac.2019.07.067. Epub 2019 Jul 10.

PMID:
31301397
12.

Ectopic Expression of Cold Responsive LlaCIPK Gene Enhances Cold Stress Tolerance in Nicotiana tabacum.

Aslam M, Fakher B, Anandhan S, Pande V, Ahmed Z, Qin Y.

Genes (Basel). 2019 Jun 12;10(6). pii: E446. doi: 10.3390/genes10060446.

13.

Genetic diversity and structural analysis of 4-diphosphocytidyl-2C-methyl-D-erythritol kinase (IspE) from Plasmodium falciparum.

Kadian K, Vijay S, Rawal R, Singh J, Anvikar A, Pande V, Sharma A.

J Vector Borne Dis. 2018 Oct-Dec;55(4):271-281. doi: 10.4103/0972-9062.256562.

14.

Evolutionary interplay of single nucleotide polymorphisms at the promoter region of TNF-α gene in different clinical outcomes of malaria in India.

Mohanty S, Singh US, Mohanty S, Mohanty AK, Pande V, Das A.

Infect Genet Evol. 2019 Apr;69:107-116. doi: 10.1016/j.meegid.2019.01.025. Epub 2019 Jan 21.

PMID:
30677532
15.

Crucial residues in falcipains that mediate hemoglobin hydrolysis.

Pasupureddy R, Verma S, Pant A, Sharma R, Seshadri S, Pande V, Saxena AK, Dixit R, Pandey KC.

Exp Parasitol. 2019 Feb;197:43-50. doi: 10.1016/j.exppara.2019.01.005. Epub 2019 Jan 12.

PMID:
30648557
16.

Synthesis of spiro-2,6-dioxopiperazine and spiro-2,6-dioxopyrazine scaffolds using amino acids in a three-component reaction to generate potential Sigma-1 (σ1) receptor selective ligands.

Uprety R, Váradi A, Allaoa A, Redel-Traub GN, Palmer TC, Feinberg EN, Ferris AC, Pande VS, Pasternak GW, Majumdar S.

Eur J Med Chem. 2019 Feb 15;164:241-251. doi: 10.1016/j.ejmech.2018.12.048. Epub 2018 Dec 22.

PMID:
30597325
17.

Over-expression of CarMT gene modulates the physiological performance and antioxidant defense system to provide tolerance against drought stress in Arabidopsis thaliana L.

Dubey AK, Kumar N, Kumar A, Ansari MA, Ranjan R, Gautam A, Meenakshi, Sahu N, Pandey V, Behera SK, Mallick S, Pande V, Sanyal I.

Ecotoxicol Environ Saf. 2019 Apr 30;171:54-65. doi: 10.1016/j.ecoenv.2018.12.050. Epub 2018 Dec 28.

PMID:
30597317
18.

PotentialNet for Molecular Property Prediction.

Feinberg EN, Sur D, Wu Z, Husic BE, Mai H, Li Y, Sun S, Yang J, Ramsundar B, Pande VS.

ACS Cent Sci. 2018 Nov 28;4(11):1520-1530. doi: 10.1021/acscentsci.8b00507. Epub 2018 Nov 2.

19.

Correction to: Current scenario and future strategies to fight artemisinin resistance.

Pasupureddy R, Atul, Seshadri S, Pande V, Dixit R, Pandey KC.

Parasitol Res. 2019 Jan;118(1):385. doi: 10.1007/s00436-018-6175-1.

PMID:
30552575
20.

Note: Variational encoding of protein dynamics benefits from maximizing latent autocorrelation.

Wayment-Steele HK, Pande VS.

J Chem Phys. 2018 Dec 7;149(21):216101. doi: 10.1063/1.5043303.

PMID:
30525733
21.
22.

Intradomain Interactions in an NMDA Receptor Fragment Mediate N-Glycan Processing and Conformational Sampling.

Subedi GP, Sinitskiy AV, Roberts JT, Patel KR, Pande VS, Barb AW.

Structure. 2019 Jan 2;27(1):55-65.e3. doi: 10.1016/j.str.2018.09.010. Epub 2018 Oct 25.

PMID:
30482728
23.

Current scenario and future strategies to fight artemisinin resistance.

Pasupureddy R, Atul, Seshadri S, Pande V, Dixit R, Pandey KC.

Parasitol Res. 2019 Jan;118(1):29-42. doi: 10.1007/s00436-018-6126-x. Epub 2018 Nov 26. Review. Erratum in: Parasitol Res. 2018 Dec 14;:.

PMID:
30478733
24.

Molecular identification and genetic diversity analysis of Chocolate mahseer (Neolissochilus hexagonolepis) populations of Northeast India, using mitochondrial DNA markers.

Sharma L, Ali S, Barat A, Kumar R, Pande V, Laskar MA, Sahoo PK, Sumer S.

Mitochondrial DNA A DNA Mapp Seq Anal. 2019 Apr;30(3):397-406. doi: 10.1080/24701394.2018.1526929. Epub 2018 Nov 19.

PMID:
30451555
25.

Air versus water temperature of aquatic habitats in Delhi: Implications for transmission dynamics of Aedes aegypti.

Kumar G, Pande V, Pasi S, Ojha VP, Dhiman RC.

Geospat Health. 2018 Nov 9;13(2). doi: 10.4081/gh.2018.707.

26.

Perspective: Computational chemistry software and its advancement as illustrated through three grand challenge cases for molecular science.

Krylov A, Windus TL, Barnes T, Marin-Rimoldi E, Nash JA, Pritchard B, Smith DGA, Altarawy D, Saxe P, Clementi C, Crawford TD, Harrison RJ, Jha S, Pande VS, Head-Gordon T.

J Chem Phys. 2018 Nov 14;149(18):180901. doi: 10.1063/1.5052551.

PMID:
30441927
27.

Allosteric Site Inhibitor Disrupting Auto-Processing of Malarial Cysteine Proteases.

Pant A, Kumar R, Wani NA, Verma S, Sharma R, Pande V, Saxena AK, Dixit R, Rai R, Pandey KC.

Sci Rep. 2018 Nov 1;8(1):16193. doi: 10.1038/s41598-018-34564-8.

28.

Co-culture development and bioformulation efficacy of psychrotrophic PGPRs to promote growth and development of Pea (Pisum sativum) plant.

Anwar MS, Paliwal A, Firdous N, Verma A, Kumar A, Pande V.

J Gen Appl Microbiol. 2019 May 21;65(2):88-95. doi: 10.2323/jgam.2018.05.007. Epub 2018 Oct 31.

29.

Comparative proteomics of salivary glands of Anopheles culicifacies mosquitoes using tandem mass tag (TMT) mass spectrometry.

Rawal R, Vijay S, Kadian K, Adak T, Pande V, Sharma A.

J Vector Borne Dis. 2018 Apr-Jun;55(2):98-110. doi: 10.4103/0972-9062.242570.

30.

Quantifying Confidence in DFT-Predicted Surface Pourbaix Diagrams of Transition-Metal Electrode-Electrolyte Interfaces.

Vinogradova O, Krishnamurthy D, Pande V, Viswanathan V.

Langmuir. 2018 Oct 16;34(41):12259-12269. doi: 10.1021/acs.langmuir.8b02219. Epub 2018 Oct 4.

PMID:
30240564
31.

Bayesian analysis of isothermal titration calorimetry for binding thermodynamics.

Nguyen TH, Rustenburg AS, Krimmer SG, Zhang H, Clark JD, Novick PA, Branson K, Pande VS, Chodera JD, Minh DDL.

PLoS One. 2018 Sep 13;13(9):e0203224. doi: 10.1371/journal.pone.0203224. eCollection 2018.

32.

Automated design of collective variables using supervised machine learning.

Sultan MM, Pande VS.

J Chem Phys. 2018 Sep 7;149(9):094106. doi: 10.1063/1.5029972.

PMID:
30195289
33.

Design and synthesis of tetrahydropyridopyrimidine based Toll-Like Receptor (TLR) 7/8 dual agonists.

McGowan DC, Herschke F, Khamlichi MD, Rosauro ML, Benedicto SMP, Pauwels F, Stoops B, Pande V, Scholliers A, Van Schoubroeck B, Mostmans W, Van Dijck K, Thoné T, Horton H, Fanning G, Jonckers THM, Raboisson P.

Bioorg Med Chem Lett. 2018 Oct 15;28(19):3216-3221. doi: 10.1016/j.bmcl.2018.08.015. Epub 2018 Aug 16.

PMID:
30143425
34.

Engineering a Single-Agent Cytokine/Antibody Fusion That Selectively Expands Regulatory T Cells for Autoimmune Disease Therapy.

Spangler JB, Trotta E, Tomala J, Peck A, Young TA, Savvides CS, Silveria S, Votavova P, Salafsky J, Pande VS, Kovar M, Bluestone JA, Garcia KC.

J Immunol. 2018 Oct 1;201(7):2094-2106. doi: 10.4049/jimmunol.1800578. Epub 2018 Aug 13.

35.

An epidemiological study of dengue and its coinfections in Delhi.

Savargaonkar D, Sinha S, Srivastava B, Nagpal BN, Sinha A, Shamim A, Das R, Pande V, Anvikar AR, Valecha N.

Int J Infect Dis. 2018 Sep;74:41-46. doi: 10.1016/j.ijid.2018.06.020. Epub 2018 Jul 2.

36.

Computer Simulations Predict High Structural Heterogeneity of Functional State of NMDA Receptors.

Sinitskiy AV, Pande VS.

Biophys J. 2018 Sep 4;115(5):841-852. doi: 10.1016/j.bpj.2018.06.023. Epub 2018 Jun 28.

37.

Variational encoding of complex dynamics.

Hernández CX, Wayment-Steele HK, Sultan MM, Husic BE, Pande VS.

Phys Rev E. 2018 Jun;97(6-1):062412. doi: 10.1103/PhysRevE.97.062412.

PMID:
30011547
38.

Towards simple kinetic models of functional dynamics for a kinase subfamily.

Sultan MM, Kiss G, Pande VS.

Nat Chem. 2018 Sep;10(9):903-909. doi: 10.1038/s41557-018-0077-9. Epub 2018 Jul 9.

PMID:
29988151
39.

2,4-Diaminoquinazolines as Dual Toll-like Receptor (TLR) 7/8 Modulators for the Treatment of Hepatitis B Virus.

Embrechts W, Herschke F, Pauwels F, Stoops B, Last S, Pieters S, Pande V, Pille G, Amssoms K, Smyej I, Dhuyvetter D, Scholliers A, Mostmans W, Van Dijck K, Van Schoubroeck B, Thone T, De Pooter D, Fanning G, Jonckers THM, Horton H, Raboisson P, McGowan D.

J Med Chem. 2018 Jul 26;61(14):6236-6246. doi: 10.1021/acs.jmedchem.8b00643. Epub 2018 Jul 17.

PMID:
29965759
40.

Solving the RNA design problem with reinforcement learning.

Eastman P, Shi J, Ramsundar B, Pande VS.

PLoS Comput Biol. 2018 Jun 21;14(6):e1006176. doi: 10.1371/journal.pcbi.1006176. eCollection 2018 Jun.

41.

Donated chemical probes for open science.

Müller S, Ackloo S, Arrowsmith CH, Bauser M, Baryza JL, Blagg J, Böttcher J, Bountra C, Brown PJ, Bunnage ME, Carter AJ, Damerell D, Dötsch V, Drewry DH, Edwards AM, Edwards J, Elkins JM, Fischer C, Frye SV, Gollner A, Grimshaw CE, IJzerman A, Hanke T, Hartung IV, Hitchcock S, Howe T, Hughes TV, Laufer S, Li VM, Liras S, Marsden BD, Matsui H, Mathias J, O'Hagan RC, Owen DR, Pande V, Rauh D, Rosenberg SH, Roth BL, Schneider NS, Scholten C, Singh Saikatendu K, Simeonov A, Takizawa M, Tse C, Thompson PR, Treiber DK, Viana AY, Wells CI, Willson TM, Zuercher WJ, Knapp S, Mueller-Fahrnow A.

Elife. 2018 Apr 20;7. pii: e34311. doi: 10.7554/eLife.34311.

42.

Communication: Adaptive boundaries in multiscale simulations.

Wagoner JA, Pande VS.

J Chem Phys. 2018 Apr 14;148(14):141104. doi: 10.1063/1.5025826.

43.

MoleculeNet: a benchmark for molecular machine learning.

Wu Z, Ramsundar B, Feinberg EN, Gomes J, Geniesse C, Pappu AS, Leswing K, Pande V.

Chem Sci. 2017 Oct 31;9(2):513-530. doi: 10.1039/c7sc02664a. eCollection 2018 Jan 14.

44.

Malaria diagnosis by PCR revealed differential distribution of mono and mixed species infections by Plasmodium falciparum and P. vivax in India.

Siwal N, Singh US, Dash M, Kar S, Rani S, Rawal C, Singh R, Anvikar AR, Pande V, Das A.

PLoS One. 2018 Mar 22;13(3):e0193046. doi: 10.1371/journal.pone.0193046. eCollection 2018.

45.

Structural modeling identifies Plasmodium vivax 4-diphosphocytidyl-2C-methyl-d-erythritol kinase (IspE) as a plausible new antimalarial drug target.

Kadian K, Vijay S, Gupta Y, Rawal R, Singh J, Anvikar A, Pande V, Sharma A.

Parasitol Int. 2018 Aug;67(4):375-385. doi: 10.1016/j.parint.2018.03.001. Epub 2018 Mar 14.

PMID:
29550587
46.

Transferable Neural Networks for Enhanced Sampling of Protein Dynamics.

Sultan MM, Wayment-Steele HK, Pande VS.

J Chem Theory Comput. 2018 Apr 10;14(4):1887-1894. doi: 10.1021/acs.jctc.8b00025. Epub 2018 Mar 19.

PMID:
29529369
47.

An anti-TL1A antibody for the treatment of asthma and inflammatory bowel disease.

Clarke AW, Poulton L, Shim D, Mabon D, Butt D, Pollard M, Pande V, Husten J, Lyons J, Tian C, Doyle AG.

MAbs. 2018 May/Jun;10(4):664-677. doi: 10.1080/19420862.2018.1440164. Epub 2018 Mar 5.

48.

REDOR NMR Reveals Multiple Conformers for a Protein Kinase C Ligand in a Membrane Environment.

Yang H, Staveness D, Ryckbosch SM, Axtman AD, Loy BA, Barnes AB, Pande VS, Schaefer J, Wender PA, Cegelski L.

ACS Cent Sci. 2018 Jan 24;4(1):89-96. doi: 10.1021/acscentsci.7b00475. Epub 2018 Jan 2.

49.

Theoretical restrictions on longest implicit time scales in Markov state models of biomolecular dynamics.

Sinitskiy AV, Pande VS.

J Chem Phys. 2018 Jan 28;148(4):044111. doi: 10.1063/1.5005058.

50.

Reconstructing the demographic history of the Himalayan and adjoining populations.

Tamang R, Chaubey G, Nandan A, Govindaraj P, Singh VK, Rai N, Mallick CB, Sharma V, Sharma VK, Shah AM, Lalremruata A, Reddy AG, Rani DS, Doviah P, Negi N, Hadid Y, Pande V, Vishnupriya S, van Driem G, Behar DM, Sharma T, Singh L, Villems R, Thangaraj K.

Hum Genet. 2018 Feb;137(2):129-139. doi: 10.1007/s00439-018-1867-2. Epub 2018 Jan 22.

PMID:
29356938

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