David K. Chalmers - Publications, H-index & Citations

David K. Chalmers

monash university

32H指数

157论文数

3.3K被引数

收录论文 60

发表时间

Contact Parallel Cascade Selection Molecular Dynamics (cPaCS-MD) for Accurate In Silico Prediction of Peptide Binding Free Energy 接触平行级联选择分子动力学 (cpacs-md)，用于准确预测肽结合自由能

JOURNAL OF CHEMICAL INFORMATION AND MODELING

IF5.3

2025-12-01

PREAI

Prypoten, Viktor; Norton, Raymond S.; Chalmers, David K.

Structuring of Lipid Nanoparticle mRNA Formulations at acidic and physiological pH: X-ray Scattering and Molecular Dynamics Studies 脂质纳米颗粒mRNA制剂在酸性及生理pH下的结构：X射线散射与分子动力学研究

Molecular Therapy Methods & Clinical Development

IF4.7

2025-09-19

OAAI

Amali G. Guruge; Yujia He; Andrew J. Clulow; Colin W. Pouton; David K. Chalmers

Re-evaluation of Cyclic Peptide Binding to Neurotensin Receptor 1 by Shifting the Peptide Register during Synthesis

ACS MEDICINAL CHEMISTRY LETTERS

IF4

2024-12-19

OAAI

de Zhang, Lazarus Andrew; Liu, Mengjie; Scott, Daniel J.; Chalmers, David K.

Engineering of Novel Analogues That Are More Receptor-Selective and Potent than the Native Hormone, Insulin-like Peptide 5 (INSL5)比天然激素胰岛素样肽5 (INSL5) 更具受体选择性和效力的新型类似物的工程

JOURNAL OF MEDICINAL CHEMISTRY

IF6.8

2024-11-21

PREAI

Wu, Hongkang; Hartono, Herodion A.; Handley, Thomas N. G.; Hoare, Bradley L.; Rosengren, K. Johan; Chalmers, David K.; Bathgate, Ross A. D.; Hossain, Mohammed Akhter

A randomized, placebo-controlled first-in-human study of oral TQS-168 in healthy volunteers: Assessment of safety, tolerability, pharmacokinetics, pharmacodynamics, and food effect

CTS-CLINICAL AND TRANSLATIONAL SCIENCE

IF2.8

2024-11-13

OAAI

Hannestad, Jonas; Smith, Steven; Lam, Andrew; Hurt, Janet; Harada, Nicole; Kim, Richard; Das, Abhirup; Brunello, Juliana; Whitaker, Gareth; Chalmers, David; Senjoti, Faria; Lin, Wu; Coghill, James; Bansal, Yogesh; Sidhu, Sharan; Zann, Vanessa; Liu, Enchi

Graph Neural Network-Based Molecular Property Prediction with Patch Aggregation

JOURNAL OF CHEMICAL THEORY AND COMPUTATION

IF5.5

2024-10-02

PREAI

See, Teng Jiek; Zhang, Daokun; Boley, Mario; Chalmers, David K.

The 8-hydroxyquinoline derivative, clioquinol, is an alpha-1 adrenoceptor antagonist

BIOCHEMICAL PHARMACOLOGY

IF5.6

2024-04-01

PREAI

Betrie, Ashenafi H.; Abdul-Ridha, Alaa; Hartono, Herodion; Chalmers, David K.; Wright, Christine E.; Scott, Daniel J.; Angus, James A.; Ayton, Scott

Identification of a Novel Subtype-Selective α1B-Adrenoceptor Antagonist

ACS CHEMICAL NEUROSCIENCE

IF3.9

2024-01-18

OAAI

Abdul-Ridha, Alaa; de Zhang, Lazarus A.; Betrie, Ashenafi Haileyesus; Deluigi, Mattia; Vaid, Tasneem M.; Whitehead, Alice; Zhang, Yifan; Davis, Ben; Harris, Richard; Simmonite, Heather; Hubbard, Roderick E.; Gooley, Paul R.; Plu''ckthun, Andreas; Bathgate, Ross A. D.; Chalmers, David K.; Scott, Daniel J.

Interaction of the Inhibitory Peptides ShK and HmK with the Voltage-Gated Potassium Channel KV1.3: Role of Conformational Dynamics 抑制肽ShK和HmK与电压门控钾通道KV1.3的相互作用: 构象动力学的作用

JOURNAL OF CHEMICAL INFORMATION AND MODELING

IF5.3

2023-05-05

PREAI

Sanches, Karoline; Prypoten, Viktor; Chandy, K. George; Chalmers, David K.; Norton, Raymond S.

Targeting HIV-1 Reverse Transcriptase Using a Fragment-Based Approach

MOLECULES

IF4.6

2023-03-30

OAAI

Mansouri, Mahta; Rumrill, Shawn; Dawson, Shane; Johnson, Adam; Pinson, Jo-Anne; Gunzburg, Menachem J.; Latham, Catherine F.; Barlow, Nicholas; Mbogo, George W.; Ellenberg, Paula; Headey, Stephen J.; Sluis-Cremer, Nicolas; Tyssen, David; Bauman, Joseph D.; Ruiz, Francesc X.; Arnold, Eddy; Chalmers, David K.; Tachedjian, Gilda

Targeting Melanocortin Receptors Using SNAr-Type Macrocyclization: A Doubly Orthogonal Route to Cyclic Peptide Conjugates

JOURNAL OF MEDICINAL CHEMISTRY

IF6.8

2023-02-21

PREAI

Yu, Wenxiao K.; Zhang, Tianxia; Mugan, Rekha Shandre; Barlow, Nicholas; Chalmers, David K.; Pouton, Colin W.; Thompson, Philip E.

Structural Analysis of the Complex of Human Transthyretin with 3′,5′-Dichlorophenylanthranilic Acid at 1.5 Å Resolution

MOLECULES

IF4.6

2022-10-25

OAAI

Cody, Vivian; Truong, Jia Q.; Holdsworth, Bruce A.; Holien, Jessica K.; Richardson, Samantha J.; Chalmers, David K.; Craik, David J.

Membrane Permeating Macrocycles: Design Guidelines from Machine Learning 膜渗透大环: 来自机器学习的设计指南

JOURNAL OF CHEMICAL INFORMATION AND MODELING

IF5.3

2022-09-30

PREAI

-Noonan, Billy J. Williams; Speer, Melissa N.; Le, Tu C.; Sadek, Maiada M.; Thompson, Philip E.; Norton, Raymond S.; Yuriev, Elizabeth; Barlow, Nicholas; Chalmers, David K.; Yarovsky, Irene

Selective Binding of Small Molecules to Vibrio cholerae DsbA Offers a Starting Point for the Design of Novel Antibacterials

CHEMMEDCHEM

IF3.4

2022-01-27

OAAI

Wang, Geqing; Mohanty, Biswaranjan; Williams, Martin L.; Doak, Bradley C.; Dhouib, Rabeb; Totsika, Makrina; McMahon, Roisin M.; Sharma, Gaurav; Zheng, Dan; Bentley, Matthew R.; Chin, Yanni Ka-Yan; Horne, James; Chalmers, David K.; Heras, Begona; Scanlon, Martin J.

Crystal structure of the α1B-adrenergic receptor reveals molecular determinants of selective ligand recognition

NATURE COMMUNICATIONS

IF15.7

2022-01-19

OAAI

Deluigi, Mattia; Morstein, Lena; Schuster, Matthias; Klenk, Christoph; Merklinger, Lisa; Cridge, Riley R.; de Zhang, Lazarus A.; Klipp, Alexander; Vacca, Santiago; Vaid, Tasneem M.; Mittl, Peer R. E.; Egloff, Pascal; Eberle, Stefanie A.; Zerbe, Oliver; Chalmers, David K.; Scott, Daniel J.; Pluckthun, Andreas

Structural Features of Iperoxo-BQCA Muscarinic Acetylcholine Receptor Hybrid Ligands Determining Subtype Selectivity and Efficacy

ACS CHEMICAL NEUROSCIENCE

IF3.9

2021-12-14

PREAI

Wakeham, Matthew C. L.; Davie, Briana J.; Chalmers, David K.; Christopoulos, Arthur; Capuano, Ben; Valant, Celine; Scammells, Peter J.

Molecular Dynamics Simulations and Experimental Results Provide Insight into Clinical Performance Differences between Sandimmune® and Neoral® Lipid-Based Formulations

PHARMACEUTICAL RESEARCH

IF4.3

2021-09-24

PREAI

Warren, Dallas B.; Haque, Shadabul; McInerney, Mitchell P.; Corbett, Karen M.; Kastrati, Endri; Ford, Leigh; Williams, Hywel D.; Jannin, Vincent; Benameur, Hassan; Porter, Christopher J. H.; Chalmers, David K.; Pouton, Colin W.

Side-Chain Interactions in d/l Peptide Nanotubes: Studies by Crystallography, NMR Spectroscopy and Molecular Dynamics

CHEMISTRY-A EUROPEAN JOURNAL

IF3.7

2021-09-12

OAAI

Silk, Mitchell R.; Price, Jason R.; Mohanty, Biswaranjan; Leiros, Hanna-Kirsti S.; Lund, Bjarte A.; Thompson, Philip E.; Chalmers, David K.

Cyclosporin Structure and Permeability: From A to Z and Beyond

JOURNAL OF MEDICINAL CHEMISTRY

IF6.8

2021-09-03

PREAI

Corbett, Karen M.; Ford, Leigh; Warren, Dallas B.; Pouton, Colin W.; Chalmers, David K.

Guiding the Immune Response to a Conserved Epitope in MSP2, an Intrinsically Disordered Malaria Vaccine Candidate 引导对MSP2中保守表位的免疫反应，MSP2是一种内在无序的疟疾疫苗候选者

VACCINES

IF3.4

2021-08-04

OAAI

Seow, Jeffrey; Das, Sreedam C.; Morales, Rodrigo A. V.; Ataide, Ricardo; Krishnarjuna, Bankala; Silk, Mitchell; Chalmers, David K.; Richards, Jack; Anders, Robin F.; MacRaild, Christopher A.; Norton, Raymond S.

研究方向