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Refinado por: assunto: Biochemistry & Molecular Biology remover
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Investigating Protein–Peptide Interactions Using the Schrödinger Computational Suite
Investigating Protein–Peptide Interactions Using the Schrödinger Computational Suite
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Investigating Protein–Peptide Interactions Using the Schrödinger Computational Suite

Bhachoo, Jas ; Beuming, Thijs

Methods in molecular biology (Clifton, N.J.), 2017, Vol.1561, p.235-254

New York, NY: Springer New York

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2
High‐accuracy refinement using Rosetta in CASP13
High‐accuracy refinement using Rosetta in CASP13
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High‐accuracy refinement using Rosetta in CASP13

Park, Hahnbeom ; Lee, Gyu Rie ; Kim, David E. ; Anishchenko, Ivan ; Cong, Qian ; Baker, David

Proteins, structure, function, and bioinformatics, 2019-12, Vol.87 (12), p.1276-1282 [Periódico revisado por pares]

Hoboken, USA: John Wiley & Sons, Inc

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3
Ab initio investigation of the first hydration shell of glucose
Ab initio investigation of the first hydration shell of glucose
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Ab initio investigation of the first hydration shell of glucose

Song, Ran ; Chen, Dong ; Suo, Chengxiang ; Guo, Zhiheng

Carbohydrate research, 2020-10, Vol.496, p.108114-108114, Article 108114 [Periódico revisado por pares]

Elsevier Ltd

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4
Conformational Distributions of Phenyl β-D-Glucopyranoside and Gastrodin in Solution by Vibrational Optical Activity and Theoretical Calculations
Conformational Distributions of Phenyl β-D-Glucopyranoside and Gastrodin in Solution by Vibrational Optical Activity and Theoretical Calculations
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Conformational Distributions of Phenyl β-D-Glucopyranoside and Gastrodin in Solution by Vibrational Optical Activity and Theoretical Calculations

Alshalalfeh, Mutasem ; Sun, Ningjie ; Moraes, Amanda Hanashiro ; Utani, Alexandra Paola Aponte ; Xu, Yunjie

Molecules (Basel, Switzerland), 2023-05, Vol.28 (10), p.4013 [Periódico revisado por pares]

Switzerland: MDPI AG

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5
Structural-based design of HD-TAC7 PROteolysis TArgeting chimeras (PROTACs) candidate transformations to abrogate SARS-CoV-2 infection
Structural-based design of HD-TAC7 PROteolysis TArgeting chimeras (PROTACs) candidate transformations to abrogate SARS-CoV-2 infection
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Structural-based design of HD-TAC7 PROteolysis TArgeting chimeras (PROTACs) candidate transformations to abrogate SARS-CoV-2 infection

Zahid, Sana ; Ali, Yasir ; Rashid, Sajid

Journal of biomolecular structure & dynamics, 2023, Vol.41 (23), p.14566-14581 [Periódico revisado por pares]

England: Taylor & Francis

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6
A Uniquely Stable Trimeric Model of SARS-CoV-2 Spike Transmembrane Domain
A Uniquely Stable Trimeric Model of SARS-CoV-2 Spike Transmembrane Domain
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A Uniquely Stable Trimeric Model of SARS-CoV-2 Spike Transmembrane Domain

Aliper, Elena T. ; Krylov, Nikolay A. ; Nolde, Dmitry E. ; Polyansky, Anton A. ; Efremov, Roman G.

International journal of molecular sciences, 2022-08, Vol.23 (16), p.9221 [Periódico revisado por pares]

Basel: MDPI AG

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7
Sampling and scoring: A marriage made in heaven
Sampling and scoring: A marriage made in heaven
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Sampling and scoring: A marriage made in heaven

Vajda, Sandor ; Hall, David R. ; Kozakov, Dima

Proteins, structure, function, and bioinformatics, 2013-11, Vol.81 (11), p.1874-1884 [Periódico revisado por pares]

United States: Blackwell Publishing Ltd

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8
Structural insight into locked nucleic acid based novel antisense modifications: A DFT calculations at monomer and MD simulations at oligomer level
Structural insight into locked nucleic acid based novel antisense modifications: A DFT calculations at monomer and MD simulations at oligomer level
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Structural insight into locked nucleic acid based novel antisense modifications: A DFT calculations at monomer and MD simulations at oligomer level

Uppuladinne, Mallikarjunachari V.N. ; Dowerah, Dikshita ; Sonavane, Uddhavesh B. ; Ray, Suvendra Kumar ; Deka, Ramesh C. ; Joshi, Rajendra R.

Journal of molecular graphics & modelling, 2021-09, Vol.107, p.107945-107945, Article 107945 [Periódico revisado por pares]

Elsevier Inc

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9
Tailor‐made computational protocols for precise characterization of small biological building blocks using QM and MM approaches
Tailor‐made computational protocols for precise characterization of small biological building blocks using QM and MM approaches
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Tailor‐made computational protocols for precise characterization of small biological building blocks using QM and MM approaches

Chandramouli, Balasubramanian ; Del Galdo, Sara ; Mancini, Giordano ; Tasinato, Nicola ; Barone, Vincenzo

Biopolymers, 2018-08, Vol.109 (10), p.e23109-n/a [Periódico revisado por pares]

United States

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10
Theoretical and experimental study of the diastereoisomers (2S) and (2R)-naringenin-6-C-β-D-glucopyranoside obtained from Clitoria guianensis
Theoretical and experimental study of the diastereoisomers (2S) and (2R)-naringenin-6-C-β-D-glucopyranoside obtained from Clitoria guianensis
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Theoretical and experimental study of the diastereoisomers (2S) and (2R)-naringenin-6-C-β-D-glucopyranoside obtained from Clitoria guianensis

Cruz, Állefe Barbosa ; Ciribelli, Nicolas Nascimento ; Cunha, Camila Luiza ; Nascimento, Isabele Rodrigues ; Holzbach, Juliana Cristina ; Pereira, Douglas Henrique

Journal of molecular modeling, 2023-03, Vol.29 (3), p.77-77, Article 77 [Periódico revisado por pares]

Berlin/Heidelberg: Springer Berlin Heidelberg

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