Protein Structure and Dynamics

30 works

Weakly Periodic Gibbs Measures for HC-Models on Cayley Trees
Р. М. Хакимов
ArticleTheoretical and Computational PhysicsSiberian Mathematical Journal20188 citations
ABI
Optimization of classical nonpolarizable force fields for OH− and H3O+
Douwe Jan Bonthuis, Shavkat Mamatkulov, Roland R. Netz
ArticleSpectroscopy and Quantum Chemical StudiesThe Journal of Chemical Physics20164 citations
ABI
Bias-force guided simulations combined with experimental validations towards GPR17 modulators identification
Sana Kari, Akshaya Murugesan, Ramesh Thiyagarajan +5
ArticleReceptor Mechanisms and SignalingBiomedicine & Pharmacotherapy20233 citations
ABI
MSA clustering enhances AF-Multimer’s ability to predict conformational landscapes of protein–protein interactions
Khondamir R Rustamov, Artyom Y. Baev
ArticleChemokine receptors and signalingBioinformatics Advances20242 citations
ABI
Understanding Osaka mutation polymorphic Aβ fibril response to static and oscillating electric fields: insights from computational modeling
Mukhriddin Makhkamov, Artyom Y. Baev, Erkin Kurganov +1
ArticleAlzheimer's disease research and treatmentsScientific Reports20242 citations
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Decay τ− → φπ−ν τ and ω−φ mixing
K. R. Nasriddinov, B. N. Kuranov, G.G. Takhtamyshev +1
ArticleMolecular spectroscopy and chiralityPhysics of Atomic Nuclei20011 citations
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SMILES‐based optimal descriptors: QSAR analysis of fullerene‐based HIV‐1 PR inhibitors by means of balance of correlations
Andrey A. Toropov, Alla P. Toropova, Emilio Benfenati +2
ArticleComputational Drug Discovery MethodsJournal of Computational Chemistry20091 citations
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Термодинамика взаимодействующих систем молекул ДНК
U. A. Rozikov
ArticleSpectroscopy and Quantum Chemical StudiesТеоретическая и математическая физика20211 citations
ABI
Prediction of the structure of a silk-like protein in oligomeric states using explicit and implicit solvent models
Jamoliddin Razzokov, Saber Naderi, Paul van der Schoot
ArticleProtein Structure and DynamicsSoft Matter20141 citations
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Disruption of conserved polar interactions causes a sequential release of Bim mutants from the canonical binding groove of Mcl1
Parthiban Marimuthu, Jamoliddin Razzokov, G. Eshonqulov
ArticleCell death mechanisms and regulationInternational Journal of Biological Macromolecules20201 citations
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Atom‐Based 2D Quadratic Indices in Drug Discovery of Novel Tyrosinase Inhibitors: Results of <i>In Silico</i> Studies Supported by Experimental Results
Yovani Marrero Ponce, Mahmud Tareq Hassan Khan, Gerardo M. Casañola‐Martín +5
ArticleComputational Drug Discovery MethodsQSAR & Combinatorial Science20061 citations
ABI
Thermodynamical studies of oxygen equilibrium of hemoglobin. Nonuniform heats and entropy changes for the individual oxygenation steps and enthalpy-entropy compensation.
Katsunori Imai, Takashi Yonetani
ArticleHemoglobin structure and functionJournal of Biological Chemistry19750 citations
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Low-temperature heat capacity and dynamic properties of DNA as a quasi-one-dimensional system
B. I. Verkin, V. Ya. Sukharevski, Yu. V. Telezhenko +2
ArticleDNA and Nucleic Acid ChemistrySoviet Journal of Low Temperature Physics19770 citations
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Structural and functional consequences of amino acid substitutions in hemoglobin as manifested in natural and artificial mutants.
Katsunori Imai, Shih Dt, Jeremy R. H. Tame +2
ArticleHemoglobin structure and functionPubMed19890 citations
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Tryptophanase from Escherichia coli: catalytic and spectral properties in water-organic solvents.
N. G. Faleev, I. Dementieva, Lyudmila N. Zakomirdina +2
ArticleProtein Structure and DynamicsPubMed19940 citations
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Conformational stability of bovine holo and apo adrenodoxin — A scanning calorimetric study
Tatjana V. Burova, Rita Bernhardt, Wolfgang Pfeil
ArticleSpectroscopy and Quantum Chemical StudiesProtein Science19950 citations
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Qspr Modeling Organic Compounds Gibb's Free Energy by Weighting of Nearest Neighboring Codes
Eduardo A. Castro, Alla P. Toropova, Andrey A. Toropov +1
ArticleComputational Drug Discovery MethodsSSRN Electronic Journal20030 citations
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Prediction of Tyrosinase Inhibition Activity Using Atom‐Based Bilinear Indices
Yovani Marrero‐Ponce, Mahmud Tareq Hassan Khan, Gerardo M. Casañola‐Martín +4
ArticleComputational Drug Discovery MethodsChemMedChem20070 citations
ABI
InChI-based optimal descriptors: QSAR analysis of fullerene[C60]-based HIV-1 PR inhibitors by correlation balance
Andrey A. Toropov, Alla P. Toropova, Emilio Benfenati +2
ArticleComputational Drug Discovery MethodsEuropean Journal of Medicinal Chemistry20100 citations
ABI
Non-poissonian Distribution of Point Mutations in DNA
N. N. Turaeva, Б. Л. Оксенгендлер
ArticleProtein Structure and DynamicsFrontiers in Chemistry20200 citations
ABI
Direct Observation of Anisotropy-Driven Formation of Amyloid Spherulites in Real-time by Super-resolution Microscopy
Min Zhang, Henrik Dahl Pinholt, Xin Zhou +5
PreprintAdvanced Fluorescence Microscopy TechniquesResearch Square20210 citations
ABI
Direct Observation of Heterogeneous Formation of Amyloid Spherulites in Real-time by Super-resolution Microscopy
Nikos S. Hatzakis, Min Zhang, Henrik Dahl Pinholt +5
PreprintAdvanced NMR Techniques and ApplicationsResearch Square20220 citations
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Tidying up the conformational ensemble of a disordered peptide by computational prediction of spectroscopic fingerprints
Monika Michaelis, Lorenzo Cupellini, Carl Mensch +3
PreprintMolecular spectroscopy and chiralityChemRxiv20220 citations
ABI
On the Automatic Optimization of Lipid Models in the Martini Force Field using SwarmCG
Charly Empereur‐mot, Kasper B. Pedersen, Riccardo Capelli +6
PreprintLipid Membrane Structure and BehaviorChemRxiv20230 citations
ABI
On the Automatic Optimization of Lipid Models in the Martini Force Field using SwarmCG
Charly Empereur‐mot, Kasper B. Pedersen, Cristina Caruso +5
PreprintLipid Membrane Structure and BehaviorChemRxiv20230 citations
ABI