Works matching DE "BINDING energy"

Results: 5000

Heavy Quarkonium States With Baryonic Chemical Potential.

Published in:

Advances in High Energy Physics, 2025, v. 2025, p. 1, doi. 10.1155/ahep/6634706

By:

Solanki, Siddhartha;
Lal, Manohar;
Agotiya, Vineet Kumar;
Coccaro, Andrea

Publication type:

Article

Potential of rutin from Rhizophora mucronata leaves as a Inhibitor of Kelch-like ECH-associated protein 1/Nuclear factor erythroid 2 related factor 2 Keap1/Nrf2): An in silico study for Alzheimer's therapy.

Published in:

Journal of Advanced Pharmaceutical Technology & Research, 2025, v. 16, n. 2, p. 73, doi. 10.4103/JAPTR.JAPTR_313_24

By:

Saputri, Legis Ocktaviana;
Permatasari, Lina;
Harahap, Herpan Syafii;
Rosyidi, Rohadi Muhammad;
Rivarti, Arina Windri;
Prihatina, Lale Maulin;
Rahayu, Zilfia;
Azariani, Wiwin

Publication type:

Article

Perturbative quantum Monte Carlo calculation with high-fidelity nuclear forces.

Published in:

European Physical Journal A -- Hadrons & Nuclei, 2025, v. 61, n. 4, p. 1, doi. 10.1140/epja/s10050-025-01568-8

By:

Liu, Jun;
Wang, Teng;
Lu, Bing-Nan

Publication type:

Article

Scale-(in)dependence in quantum 4-body scattering.

Published in:

European Physical Journal A -- Hadrons & Nuclei, 2025, v. 61, n. 4, p. 1, doi. 10.1140/epja/s10050-025-01538-0

By:

Mondal, Sourav;
Goswami, Rakshanda;
Raha, Udit;
Kirscher, Johannes

Publication type:

Article

Inside into diverse pharmaceutical properties and phytochemical profiles of tetrastigma erubescens: a drug discovery via experiments, docking, DFT, ADMET and Lipinski's rules of five performance.

Published in:

Research on Chemical Intermediates, 2025, v. 51, n. 6, p. 3351, doi. 10.1007/s11164-025-05591-8

By:

Phan, Tu Quy;
Wang, San-Lang;
Le Vu, Thi Thu;
Do, Tien Lam;
Thuy, Pham Thi;
Phan, Thi Kim Phung;
Phan, Thi Kim Thu;
Nguyen, Thi Huyen;
Nguyen, Anh Dzung;
Nguyen, Van Bon

Publication type:

Article

Theoretical study of the nature of σ-hole regium bond between CuX/AgX/AuX and pyridine.

Published in:

Journal of Molecular Modeling, 2025, v. 31, n. 5, p. 1, doi. 10.1007/s00894-025-06360-5

By:

Wu, Junyong;
Yan, Hua;
Chen, Hao;
Dai, Guoliang

Publication type:

Article

GC-MS Analysis, Antipyretic, and COX-2 Inhibitory Activity of Traditional Fermented Formulation Ushirasav.

Published in:

Oriental Journal of Chemistry, 2025, v. 41, n. 1, p. 274, doi. 10.13005/ojc/410132

By:

KUMAR, BHASKAR;
UPADHYAY, SUKIRTI;
UPADHYAY, PRASHANT

Publication type:

Article

Effects of quercetin and sabinene on antioxidant and detoxification enzymes of model pest Drosophila melanogaster (Diptera: Drosophilidae): Molecular docking investigation.

Published in:

Journal of Natural & Applied Sciences, 2025, v. 29, n. 1, p. 21, doi. 10.19113/sdufenbed.1581318

By:

SUGEÇTİ, Serkan

Publication type:

Article

In-silico Identification of the Novel Anti EGFR Compounds from Ginger Through Virtual Screening and Molecular Docking Analysis.

Published in:

Journal of Pioneering Medical Sciences, 2025, v. 14, p. 232, doi. 10.47310/jpms202514S0130

By:

Jamal, Azfar

Publication type:

Article

In Vitro Anti-Hepatitis B Virus Activity of Hydroxytyrosol from Lindernia ruellioides.

Published in:

Molecules, 2025, v. 30, n. 9, p. 2063, doi. 10.3390/molecules30092063

By:

Zhao, Tong-Shi-Yao;
Li, Kang-Zhi;
Su, He-Ling;
Liang, Bin;
Liang, Cheng-Qin;
Gao, Jin-Tao;
Zhou, Xian-Li

Publication type:

Article

Study on the Influence of Sn Concentration on Non-Substitutional Defect Concentration and Sn Surface Segregation in GeSn Alloys.

Published in:

Molecules, 2025, v. 30, n. 9, p. 1875, doi. 10.3390/molecules30091875

By:

Zhou, Zihang;
Li, Jiayi;
Jia, Mengjiang;
Wang, Hai;
Huang, Wenqi;
Zheng, Jun

Publication type:

Article

Study of β-Decay, log ft Values and Nuclear Structure Properties of Neutron-Rich Ge Nuclei.

Published in:

Arabian Journal for Science & Engineering (Springer Science & Business Media B.V. ), 2025, v. 50, n. 9, p. 6865, doi. 10.1007/s13369-024-09619-w

By:

Nabi, Jameel-Un;
Khalid, Wajeeha;
Kabir, Abdul;
Rida, Syeda Anmol

Publication type:

Article

Predictive biophysical neural network modeling of a compendium of in vivo transcription factor DNA binding profiles for Escherichia coli.

Published in:

Nature Communications, 2025, v. 16, n. 1, p. 1, doi. 10.1038/s41467-025-58862-8

By:

Lally, Patrick;
Gómez-Romero, Laura;
Tierrafría, Víctor H.;
Aquino, Patricia;
Rioualen, Claire;
Zhang, Xiaoman;
Kim, Sunyoung;
Baniulyte, Gabriele;
Plitnick, Jonathan;
Smith, Carol;
Babu, Mohan;
Collado-Vides, Julio;
Wade, Joseph T.;
Galagan, James E.

Publication type:

Article

Antituberculosis potential of borrelidin derivatives: An in silico molecular docking and molecular dynamic approach.

Published in:

Thai Journal of Pharmaceutical Sciences, 2025, v. 49, n. 1, p. 1

By:

Ernawati, Teni;
Ramadhan, Donny;
Hermawan, Faris;
Wulyoadi, Sasmito;
Marwoto, Bambang;
Wibisana, Ahmad;
Srijanto, Bambang

Publication type:

Article

Utilizing Non-β-Lactam Antibiotics to Combat Antimicrobial Resistance by Targeting Multiple Virulence Factors of Pseudomonas aeruginosa.

Published in:

Journal of Computational Biophysics & Chemistry, 2025, v. 24, n. 8, p. 1121, doi. 10.1142/S2737416525500139

By:

Qais, Faizan Abul;
Husain, Fohad Mabood;
Parveen, Nagma;
Ahmad, Iqbal;
Khan, Altaf;
Adil, Mohd;
Arshad, Mohammed;
Furkan, Mohammad;
Khan, Rizwan Hasan

Publication type:

Article

Pyrazine Linked 1,3,4-Oxadiazoles as DNA Gyrase Inhibitors: In silico Design, Molecular Docking, MM-GBSA Assay, MD Simulations and ADMET Studies.

Published in:

Journal of Computational Biophysics & Chemistry, 2025, v. 24, n. 8, p. 1063, doi. 10.1142/S2737416525500103

By:

Ranjan, Venkatesh;
Revanasiddappa, B. C.;
Prasanth, S.;
Bhat, Nanditha;
Bidye, Durgesh Paresh;
Dixit, Sheshagiri R.;
Pai, Aravinda

Publication type:

Article

Chromene flavanones from Dalea boliviana as xanthine oxidase inhibitors: in vitro biological evaluation and molecular docking studies.

Published in:

Frontiers in Pharmacology, 2025, p. 1, doi. 10.3389/fphar.2025.1576390

By:

Bedoya Aguirre, Einy Nallybe;
Santi, María Daniela;
Negro, Melisa Fabiana;
Echeverría, Javier;
Paulino Zunini, Margot;
Peralta, Mariana Andrea;
Ortega, María Gabriela

Publication type:

Article

Tunable Photoluminescence of LiTaO3: Tb3+, Sm3+ for Dynamic Multimode Optical Anti‐Counterfeiting.

Published in:

Chemistry - A European Journal, 2025, v. 31, n. 24, p. 1, doi. 10.1002/chem.202500249

By:

Sun, Baoqing;
Li, Ting;
Shen, Congliang;
Zhang, Mingyue;
Guang, Zhaoyu

Publication type:

Article

Molecular Mechanism of Avicennia marina (Forssk.) Vierh. in Inhibiting Hepatitis C Virus Based on Network Pharmacology and Molecular Docking.

Published in:

Tropical Journal of Natural Product Research, 2025, v. 9, n. 4, p. 1449, doi. 10.26538/tjnpr/v9i4.10

By:

Arba, Muhammad;
Ihsan, Sunandar;
Fatihah, Nurul;
Jamili, Jamili

Publication type:

Article

Toward Efficient and Stable Ruddlesden‐Popper Perovskite: Unraveling the Selection Rule of Binary Spacer Cations.

Published in:

Advanced Functional Materials, 2025, v. 35, n. 19, p. 1, doi. 10.1002/adfm.202420854

By:

Li, Shenghong;
Wu, Yi;
Zhong, Jun;
Tian, Wei;
Li, Liang

Publication type:

Article

In silico and in vitro analysis of polyphenol oxidase: study in bioremediation of phenol in wastewater.

Published in:

Environment, Development & Sustainability, 2025, v. 27, n. 5, p. 9955, doi. 10.1007/s10668-023-04294-7

By:

Kakkar, Priyanka;
Wadhwa, Neeraj

Publication type:

Article

Pyrazine-Based Aromatic Dyes as Novel Photosensitizers with Improved Conduction Band and Photovoltaic Features: DFT Insights for Efficient Dye-Sensitized Solar Cells.

Published in:

Polycyclic Aromatic Compounds, 2025, v. 45, n. 3, p. 442, doi. 10.1080/10406638.2024.2408462

By:

Rabbani, Zobia;
Khan, Muhammad Usman;
Anwar, Abida;
Mustafa, Ghulam;
Hassan, Abrar Ul;
Alshehri, Saad M.

Publication type:

Article

Modular Organization and Combinatorial Energetics of ProlineTyrosine Nuclear Localization Signals.

Published in:

PLoS Biology, 2008, v. 6, n. 6, p. e137, doi. 10.1371/journal.pbio.0060137

By:

Süel, Katherine E.;
Hongmei Gu;
Yuh Min Chook

Publication type:

Article

Interweaving in/on the Air: A Scripted Synthesis of Indigenous and Settler Knowledges for Environmental Protection in Resource Development.

Published in:

Qualitative Inquiry, 2021, v. 27, n. 8/9, p. 1072, doi. 10.1177/1077800421998296

By:

Takach, Geo

Publication type:

Article

Photocatalytic decomposition of methylene blue by Cr/TiO2 composite coatings.

Published in:

Surface Engineering, 2021, v. 37, n. 4, p. 472, doi. 10.1080/02670844.2020.1742990

By:

Shi, Y.J.;
Li, J.W.;
Wang, X.Y.;
Chen, X.B.;
Yu, Z.P.

Publication type:

Article

The impact of simulation time in predicting binding free energies using end-point approaches.

Published in:

Journal of Bioinformatics & Computational Biology, 2022, v. 20, n. 5, p. 1, doi. 10.1142/S021972002250024X

By:

Sokouti, Babak;
Dastmalchi, Siavoush;
Hamzeh-Mivehroud, Maryam

Publication type:

Article

Computational analysis and enzyme assay of inhibitor response to disease single nucleotide polymorphisms (SNPs) in lipoprotein lipase.

Published in:

Journal of Bioinformatics & Computational Biology, 2016, v. 14, n. 5, p. -1, doi. 10.1142/S0219720016500281

By:

He, Deyong;
Huang, Ling;
Xu, Yaping;
Pan, Xiaoliang;
Liu, Lijun

Publication type:

Article

Effect of Cu Doping on Structural and Optical Properties of ZnO Nanoparticles Using Sol–Gel Method.

Published in:

Macromolecular Symposia, 2019, v. 387, n. 1, p. N.PAG, doi. 10.1002/masy.201800192

By:

Kumbhar, Deepak;
Kumbhar, Sarita;
Salunke, Govind;
Nalawade, Rekha;
Nalawade, Avinash

Publication type:

Article

Study on the safety and mechanical properties of a new tetrazole‐based energetic material.

Published in:

Propellants, Explosives, Pyrotechnics, 2024, v. 49, n. 2, p. 1, doi. 10.1002/prep.202300208

By:

Zhang, Liang‐Liang;
Du, Qi‐Xuan;
Zhang, Lu;
Ye, Zhi‐Wen;
Qian, Hua

Publication type:

Article

New TKX‐55‐based heat resistant microspheres.

Published in:

Propellants, Explosives, Pyrotechnics, 2023, v. 48, n. 8, p. 1, doi. 10.1002/prep.202300057

By:

Lin, Zhengxu;
Zhang, Zhongze;
Gao, Fubing;
Zhou, Peng;
Liu, Yi;
Hou, Yuqing;
An, Chongwei;
Wang, Jingyu;
Wu, Bidong

Publication type:

Article

Desensitization of CL‐20/HMX Co‐Crystal by Functionalized Graphene Oxide.

Published in:

Propellants, Explosives, Pyrotechnics, 2023, v. 48, n. 2, p. 1, doi. 10.1002/prep.202200192

By:

Huang, Qi;
Song, Yulan;
Guo, Zhicheng;
Zhang, Jinhao;
Jin, Bo;
Guo, Ya;
Peng, Rufang

Publication type:

Article

Structures and Binding Energies of Nitrate Plasticizers DEGDN, TEGDN, and Nitroglycerine.

Published in:

Propellants, Explosives, Pyrotechnics, 2018, v. 43, n. 2, p. 115, doi. 10.1002/prep.201700203

By:

Buszek, Robert J.;
Soto, Denisse;
Dailey, Jami M.;
Bolden, Sarah;
Tall, Terita L.;
Hudgens, Leslie M.;
Marshall, Christopher A.;
Boatz, Jerry A.;
Drake, Gregory W.

Publication type:

Article

CrV Bimetallic Phillips Catalyst Prepared by Citric Acid‐Assisted Impregnation on Ethylene Polymerization.

Published in:

Macromolecular Chemistry & Physics, 2020, v. 221, n. 10, p. 1, doi. 10.1002/macp.202000010

By:

Liu, Ying;
Zhang, Rui;
Ren, He;
Liu, Yue;
Ling, Shijia;
Zhang, Hongwei;
Liu, Boping;
Cheng, Ruihua

Publication type:

Article

Highly Defined Layered 2D Sulfur Nanosheets from 0D Sulfur Dots and their use in the Photocatalytic Oxidative Coupling of Aryl Amines to Aromatic Azo Compounds.

Published in:

Chemistry - A European Journal, 2025, v. 31, n. 21, p. 1, doi. 10.1002/chem.202404710

By:

Mandal, Srayee;
Aslam Puthanpeedikekkal, Muhammed;
Bhattacharyya, Santanu

Publication type:

Article

Nitrile‐tolerant Iridium‐catalysed Hydrogen Isotope Exchange.

Published in:

Chemistry - A European Journal, 2025, v. 31, n. 20, p. 1, doi. 10.1002/chem.202500449

By:

Knight, Nathan M. L.;
Anderson, David E.;
Mulrainey, Paul T.;
Paterson, Laura C.;
Lindsay, David M.;
Tuttle, Tell;
Kerr, William J.

Publication type:

Article

Electronic Buffering Mechanism Enhances Stability and Water Oxidation Efficiency of CeO2@NiFe‐LDH.

Published in:

Chemistry - A European Journal, 2025, v. 31, n. 14, p. 1, doi. 10.1002/chem.202404278

By:

Shi, Junyu;
Wang, Dandan;
Liang, Yun;
Xu, Qunjie;
Li, Qiaoxia

Publication type:

Article

Theoretical Insight into Complexation Between Cyclocarbons and C60 Fullerene.

Published in:

Chemistry - A European Journal, 2024, v. 30, n. 55, p. 1, doi. 10.1002/chem.202402227

By:

Liu, Zeyu;
Lu, Tian

Publication type:

Article

Molecular Hosts for the Sensing and Separation of 99TcO4−.

Published in:

Chemistry - A European Journal, 2024, v. 30, n. 42, p. 1, doi. 10.1002/chem.202401551

By:

La Cognata, Sonia;
Marie, Cécile;
Guilbaud, Philippe;
Poggi, Antonio;
Amendola, Valeria

Publication type:

Article

Iridium‐Based Alkaline Hydrogen Oxidation Reaction Electrocatalysts.

Published in:

Chemistry - A European Journal, 2024, v. 30, n. 37, p. 1, doi. 10.1002/chem.202400838

By:

Lv, Qingqing;
Liu, Di;
Zhu, Wei;
Zhuang, Zhongbin

Publication type:

Article

Superalkalis with Hydrogen as Central Electronegative Atom and their Possible Applications: Ab Initio and DFT Study.

Published in:

Chemistry - A European Journal, 2024, v. 30, n. 28, p. 1, doi. 10.1002/chem.202304223

By:

Sarkar, Subhendu;
Debnath, Tanay;
Das, Abhijit K.

Publication type:

Article

Hydrogen‐Bonded Complex of the Parent Phosphinidene.

Published in:

Chemistry - A European Journal, 2024, v. 30, n. 27, p. 1, doi. 10.1002/chem.202400490

By:

Jiang, Junjie;
Fang, Wei;
Lu, Bo;
Li, Weixing;
Yu, Qi;
Zeng, Xiaoqing

Publication type:

Article

Binding of Acetylated Lysine by Using a Water Soluble Aryl Extended Calix[4]pyrrole.

Published in:

Chemistry - A European Journal, 2024, v. 30, n. 18, p. 1, doi. 10.1002/chem.202303715

By:

Orlandini, Martina;
Pedrini, Alessandro;
Marchetti, Danilo;
Li, Yifan;
Aragay, Gemma;
Dalcanale, Enrico;
Ballester, Pablo;
Pinalli, Roberta

Publication type:

Article

Modeling Amine Methylation in Methyl Ester Cavitand.

Published in:

Chemistry - A European Journal, 2024, v. 30, n. 13, p. 1, doi. 10.1002/chem.202303911

By:

Norjmaa, Gantulga;
Rebek, Julius;
Himo, Fahmi

Publication type:

Article

Mechanochemical Synthesis of Non‐Solvated Dialkylalumanyl Anion and XPS Characterization of Al(I) and Al(II) Species**.

Published in:

Chemistry - A European Journal, 2024, v. 30, n. 7, p. 1, doi. 10.1002/chem.202303073

By:

Kurumada, Satoshi;
Yamanashi, Ryotaro;
Sugita, Kengo;
Kubota, Koji;
Ito, Hajime;
Ikemoto, Satoru;
Chen, Chaoqi;
Moriyama, Takumi;
Muratsugu, Satoshi;
Tada, Mizuki;
Koitaya, Takanori;
Ozaki, Taisuke;
Yamashita, Makoto

Publication type:

Article

Assembling Artificial Photosynthetic Models in Water Using β‐Cyclodextrin‐Conjugated Phthalocyanines as Building Blocks.

Published in:

Chemistry - A European Journal, 2023, v. 29, n. 36, p. 1, doi. 10.1002/chem.202300709

By:

Chen, Xiao‐Fei;
Gobeze, Habtom B.;
D'Souza, Francis;
P. Ng, Dennis K.

Publication type:

Article

A pH‐ and Metal‐Actuated Molecular Shuttle in Water.

Published in:

Chemistry - A European Journal, 2023, v. 29, n. 33, p. 1, doi. 10.1002/chem.202300633

By:

Kriat, Amine;
Pascal, Simon;
Kauffmann, Brice;
Ferrand, Yann;
Bergé‐Lefranc, David;
Gigmes, Didier;
Siri, Olivier;
Kermagoret, Anthony;
Bardelang, David

Publication type:

Article

Discovery of Complex Binding and Reaction Mechanisms from Ternary Gases in Rare Earth Metal–Organic Frameworks.

Published in:

Chemistry - A European Journal, 2022, v. 28, n. 58, p. 1, doi. 10.1002/chem.202201926

By:

Christian, Matthew S.;
Nenoff, Tina M.;
Rimsza, Jessica M.

Publication type:

Article

The Role of Packing, Dispersion, Electrostatics, and Solvation in High‐Affinity Complexes of Cucurbit[n]urils with Uncharged Polar Guests.

Published in:

Chemistry - A European Journal, 2022, v. 28, n. 38, p. 1, doi. 10.1002/chem.202200529

By:

Grimm, Laura M.;
Spicher, Sebastian;
Tkachenko, Boryslav;
Schreiner, Peter R.;
Grimme, Stefan;
Biedermann, Frank

Publication type:

Article

2‐Aminoalkylgold Complexes: The Putative Intermediate in Au‐Catalyzed Hydroamination of Alkenes Does Not Protodemetalate.

Published in:

Chemistry - A European Journal, 2022, v. 28, n. 38, p. 1, doi. 10.1002/chem.202200332

By:

Gubler, Joël;
Radić, Mitar;
Stöferle, Yannick;
Chen, Peter

Publication type:

Article

A Photoresponsive Receptor with a 105 Magnitude of Reversible Anion‐Binding Switching.

Published in:

Chemistry - A European Journal, 2022, v. 28, n. 26, p. 1, doi. 10.1002/chem.202200719

By:

Einkauf, Jeffrey D.;
Bryantsev, Vyacheslav S.;
Moyer, Bruce A.;
Custelcean, Radu

Publication type:

Article