Found: 19
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REMD and umbrella sampling simulations to probe the energy barrier of the folding pathways of engrailed homeodomain.
- Published in:
- Journal of Molecular Modeling, 2014, v. 20, n. 6, p. 1, doi. 10.1007/s00894-014-2283-8
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- Article
QM-MM simulations on p53-DNA complex: a study of hot spot and rescue mutants.
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- Journal of Molecular Modeling, 2013, v. 19, n. 12, p. 5545, doi. 10.1007/s00894-013-2042-2
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- Article
Structural insights into human GPCR protein OA1: a computational perspective.
- Published in:
- Journal of Molecular Modeling, 2012, v. 18, n. 5, p. 2117, doi. 10.1007/s00894-011-1228-8
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- Article
Balchaturbhadra Churna as a potential medicine for SARS-CoV2 infection in pediatric setting: An in silico study.
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- AYU: An International Quarterly Journal of Research in Ayurveda, 2023, v. 43, n. 4, p. 146, doi. 10.4103/ayu.ayu_255_22
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- Article
Balchaturbhadra Churna as a potential medicine for SARS-CoV2 infection in pediatric setting: An in silico study.
- Published in:
- AYU: An International Quarterly Journal of Research in Ayurveda, 2022, v. 43, n. 4, p. 146, doi. 10.4103/ayu.ayu_255_22
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- Publication type:
- Article
Quantum chemical studies of novel 2′-4′ conformationally restricted antisense monomers.
- Published in:
- International Journal of Quantum Chemistry, 2013, v. 113, n. 23, p. 2523, doi. 10.1002/qua.24492
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- Article
Quantum chemical studies of peptide nucleic acid monomers and role of cyclohexyl modification on backbone flexibility.
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- International Journal of Quantum Chemistry, 2009, v. 109, n. 4, p. 890, doi. 10.1002/qua.21863
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- Article
TANGO: A high through‐put conformation generation and semiempirical method‐based optimization tool for ligand molecules.
- Published in:
- Journal of Computational Chemistry, 2019, v. 40, n. 7, p. 900, doi. 10.1002/jcc.25706
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- Article
Natural plant products as potential inhibitors of RNA dependent RNA polymerase of Severe Acute Respiratory Syndrome Coronavirus-2.
- Published in:
- PLoS ONE, 2021, v. 16, n. 5, p. 1, doi. 10.1371/journal.pone.0251801
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- Article
Comparative MD simulations and advanced analytics based studies on wild-type and hot-spot mutant A59G HRas.
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- PLoS ONE, 2020, v. 15, n. 10, p. 1, doi. 10.1371/journal.pone.0234836
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- Article
A Deep Dive into the Conformational Dynamics of CYP3A4 : Understanding the Binding of Homotropic and Non‐homotropic Ligands for Mitigating Drug‐Drug interaction (DDI).
- Published in:
- ChemistrySelect, 2022, v. 7, n. 17, p. 1, doi. 10.1002/slct.202200249
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- Publication type:
- Article
Conformational flipping of the N(6) substituent in diprotonated N6-(N-glycylcarbonyl)adenines: The role of N(6)H in purine-ring-protonated ureido adenines.
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- International Journal of Quantum Chemistry, 2000, v. 78, n. 5, p. 398, doi. 10.1002/(SICI)1097-461X(2000)78:5<398::AID-QUA8>3.0.CO;2-T
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- Article
N(7)-protonation induced conformational flipping in hypermodified nucleic acid bases N<sup>6</sup>-(N-threonylcarbonyl)adenine and its 2-methylthio- or N(6)-methyl- derivatives.
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- International Journal of Quantum Chemistry, 1999, v. 75, n. 3, p. 223, doi. 10.1002/(SICI)1097-461X(1999)75:3<223::AID-QUA12>3.0.CO;2-E
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- Publication type:
- Article
Traversing the folding pathway of proteins using temperature-aided cascade molecular dynamics with conformation-dependent charges.
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- European Biophysics Journal, 2016, v. 45, n. 5, p. 463, doi. 10.1007/s00249-016-1115-4
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- Article
Probing the wild-type HRas activation mechanism using steered molecular dynamics, understanding the energy barrier and role of water in the activation.
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- European Biophysics Journal, 2014, v. 43, n. 2/3, p. 81, doi. 10.1007/s00249-014-0942-4
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- Article
Correction to: Histone isoform H2A1H promotes attainment of distinct physiological states by altering chromatin dynamics.
- Published in:
- 2018
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- Correction Notice
Histone isoform H2A1H promotes attainment of distinct physiological states by altering chromatin dynamics.
- Published in:
- Epigenetics & Chromatin, 2017, v. 10, p. 1, doi. 10.1186/s13072-017-0155-z
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- Article
GenoVault: a cloud based genomics repository.
- Published in:
- BioData Mining, 2021, v. 14, n. 1, p. 1, doi. 10.1186/s13040-021-00268-5
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- Publication type:
- Article
Investigating DNA Binding and Conformational Variation in Temperature Sensitive p53 Cancer Mutants Using QM-MM Simulations.
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- PLoS ONE, 2015, v. 10, n. 11, p. 1, doi. 10.1371/journal.pone.0143065
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- Article