Patrick J. Loll - Related publications

Affiliations: 
2001 Pharmacology University of Pennsylvania, Philadelphia, PA, United States 
 2001- Biochemistry & Molecular Biology Drexel University College of Medicine, Philadelphia, PA, United States 
Area:
Protein crystallography, antibiotic resistance
Website:
http://drexel.edu/medicine/faculty/profiles/Patrick-Loll/
NOTE: We are testing a new system for identifying relevant work based on semantic analysis that identifies similarities between recently published papers and the current author's publications. You can help! If you notice any inaccuracies, please sign in and mark papers as correct or incorrect matches.
50 most relevant papers in past 60 days:
Year Citation  Score
2021 Egbert M, Ghani U, Ashizawa R, Kotelnikov S, Nguyen T, Desta I, Hashemi N, Padhorny D, Kozakov D, Vajda S. Assessing the binding properties of CASP14 targets and models. Proteins. PMID 34368994 DOI: 10.1002/prot.26209   
2021 Aggarwal R, Gupta A, Chelur V, Jawahar CV, Priyakumar UD. DeepPocket: Ligand Binding Site Detection and Segmentation using 3D Convolutional Neural Networks. Journal of Chemical Information and Modeling. PMID 34374539 DOI: 10.1021/acs.jcim.1c00799   
2021 Caldararu O, Ekberg V, Logan DT, Oksanen E, Ryde U. Exploring ligand dynamics in protein crystal structures with ensemble refinement. Acta Crystallographica. Section D, Structural Biology. 77: 1099-1115. PMID 34342282 DOI: 10.1107/S2059798321006513   
2021 Zweckstetter M. NMR hawk-eyed view of AlphaFold2 structures. Protein Science : a Publication of the Protein Society. PMID 34469019 DOI: 10.1002/pro.4175   
2021 Werner N, Werten S, Hoppen J, Palm GJ, Göttfert M, Hinrichs W. The Induction Mechanism of the Flavonoid-Responsive Regulator FrrA. The Febs Journal. PMID 34314575 DOI: 10.1111/febs.16141   
2021 Kondra S, Chen F, Chen Y, Chen Y, Collette CJ, Xu W. A study of a hierarchical structure of proteins and ligand binding sites of receptors using the TSR-based structure comparison method and development of a size-filtering feature designed for comparing different sizes of protein structures. Proteins. PMID 34392570 DOI: 10.1002/prot.26215   
2021 Zhao J, Liu M, Zang J, Yang S, Chen R, Zhao X, Ding L. Molecular docking, 3D-QASR and molecular dynamics simulations of thiazoles Pin1 inhibitors. Journal of Biomolecular Structure & Dynamics. 1-15. PMID 34499020 DOI: 10.1080/07391102.2021.1975568   
2021 Verburgt J, Kihara D. Benchmarking of structure refinement methods for protein complex models. Proteins. PMID 34309909 DOI: 10.1002/prot.26188   
2021 Tetreau G, Andreeva EA, Banneville AS, De Zitter E, Colletier JP. How Does Crystallize Such a Large Diversity of Toxins? Toxins. 13. PMID 34206796 DOI: 10.3390/toxins13070443   
2021 Xiao T, Sun L, Zhang M, Li Z, Haura EB, Schonbrunn E, Ji H. Synthesis and Structural Characterization of a Monocarboxylic Inhibitor for GRB2 SH2 Domain. Bioorganic & Medicinal Chemistry Letters. 128354. PMID 34506932 DOI: 10.1016/j.bmcl.2021.128354   
2021 Park T, Woo H, Yang J, Kwon S, Won J, Seok C. Protein Oligomer Structure Prediction using GALAXY in CASP14. Proteins. PMID 34363243 DOI: 10.1002/prot.26203   
2021 Bai B, Zou R, Chan HCS, Li H, Yuan S. MolADI: A Web Server for Automatic Analysis of Protein-Small Molecule Dynamic Interactions. Molecules (Basel, Switzerland). 26. PMID 34361778 DOI: 10.3390/molecules26154625   
2021 Metz A, Wollenhaupt J, Glöckner S, Messini N, Huber S, Barthel T, Merabet A, Gerber HD, Heine A, Klebe G, Weiss MS. Frag4Lead: growing crystallographic fragment hits by catalog using fragment-guided template docking. Acta Crystallographica. Section D, Structural Biology. 77: 1168-1182. PMID 34473087 DOI: 10.1107/S2059798321008196   
2021 Feng N, Feng H, Wang S, Punekar AS, Ladenstein R, Wang DC, Zhang Q, Ding J, Liu W. Structures of heat shock factor trimers bound to DNA. Iscience. 24: 102951. PMID 34458700 DOI: 10.1016/j.isci.2021.102951   
2021 Toyama Y, Harkness RW, Kay LE. Dissecting the role of interprotomer cooperativity in the activation of oligomeric high-temperature requirement A2 protein. Proceedings of the National Academy of Sciences of the United States of America. 118. PMID 34446566 DOI: 10.1073/pnas.2111257118   
2021 Li B, Mendenhall J, Capra JA, Meiler J. A Multitask Deep-Learning Method for Predicting Membrane Associations and Secondary Structures of Proteins. Journal of Proteome Research. PMID 34236204 DOI: 10.1021/acs.jproteome.1c00410   
2021 Li B, Mendenhall J, Capra JA, Meiler J. A Multitask Deep-Learning Method for Predicting Membrane Associations and Secondary Structures of Proteins. Journal of Proteome Research. PMID 34236204 DOI: 10.1021/acs.jproteome.1c00410   
2021 Braun L, Schoen I, Vogel V. PIP-induced membrane binding of the Vinculin tail competes with its other binding partners. Biophysical Journal. PMID 34411575 DOI: 10.1016/j.bpj.2021.08.018   
2021 An X, Bai Q, Bing Z, Liu H, Yao X. Insights into the molecular mechanism of positive cooperativity between partial agonist MK-8666 and full allosteric agonist AP8 of hGPR40 by Gaussian accelerated molecular dynamics (GaMD) simulations. Computational and Structural Biotechnology Journal. 19: 3978-3989. PMID 34377364 DOI: 10.1016/j.csbj.2021.07.008   
2021 Dash R, Mitra S, Munni YA, Choi HJ, Ali MC, Barua L, Jang TJ, Moon IS. Computational Insights into the Deleterious Impacts of Missense Variants on -Acetyl-d-glucosamine Kinase Structure and Function. International Journal of Molecular Sciences. 22. PMID 34360815 DOI: 10.3390/ijms22158048   
2021 Bandera AM, Bartho J, Lammens K, Drexler DJ, Kleinschwärzer J, Hopfner KP, Witte G. BusR senses bipartite DNA binding motifs by a unique molecular ruler architecture. Nucleic Acids Research. PMID 34432045 DOI: 10.1093/nar/gkab736   
2021 Turner LD, Nielsen AL, Lin L, Campedelli AJ, Silvaggi NR, Chen JS, Wakefield AE, Allen KN, Janda KD. Use of Crystallography and Molecular Modeling for the Inhibition of the Botulinum Neurotoxin A Protease. Acs Medicinal Chemistry Letters. 12: 1318-1324. PMID 34413962 DOI: 10.1021/acsmedchemlett.1c00325   
2021 Masuyer G, Davies JR, Stenmark P. Mechanism of Ganglioside Receptor Recognition by Botulinum Neurotoxin Serotype E. International Journal of Molecular Sciences. 22. PMID 34361086 DOI: 10.3390/ijms22158315   
2021 T RR, Saharay M, Smith JC, Krishnan M. Correlated Response of Protein Side-Chain Fluctuations and Conformational Entropy to Ligand Binding. The Journal of Physical Chemistry. B. PMID 34423989 DOI: 10.1021/acs.jpcb.1c01227   
2021 Kumar A, Singh R, Ghosh B, Makde RD. Crystal structure of aspartyl dipeptidase from Xenopus laevis revealed ligand binding induced loop ordering and catalytic triad assembly. Proteins. PMID 34431561 DOI: 10.1002/prot.26220   
2021 Pegram LM, Anderson JW, Ahn NG. Dynamic equilibria in protein kinases. Current Opinion in Structural Biology. 71: 215-222. PMID 34425481 DOI: 10.1016/j.sbi.2021.07.006   
2021 Albanese KI, Waters ML. Contributions of methionine to recognition of trimethyllysine in aromatic cage of PHD domains: implications of polarizability, hydrophobicity, and charge on binding. Chemical Science. 12: 8900-8908. PMID 34257891 DOI: 10.1039/d1sc02175c   
2021 Albanese KI, Waters ML. Contributions of methionine to recognition of trimethyllysine in aromatic cage of PHD domains: implications of polarizability, hydrophobicity, and charge on binding. Chemical Science. 12: 8900-8908. PMID 34257891 DOI: 10.1039/d1sc02175c   
2021 Cao H, Sun Y, Wang L, Pan Y, Li Z, Liang Y. In silico identification of novel inhibitors targeting the DNA-binding domain of the human estrogen receptor alpha. The Journal of Steroid Biochemistry and Molecular Biology. 105966. PMID 34416373 DOI: 10.1016/j.jsbmb.2021.105966   
2021 Talapati SR, Goyal M, Nataraj V, Pothuganti M, Sreevidya MR, Gore S, Ramachandra M, Antony T, More SS, Rao NK. Structural and binding studies of Cyclin dependent kinase 2 with NU6140 inhibitor. Chemical Biology & Drug Design. PMID 34423559 DOI: 10.1111/cbdd.13941   
2021 Ye X, Mayne L, Englander SW. A conserved strategy for structure change and energy transduction in Hsp104 and other AAA+ protein motors. The Journal of Biological Chemistry. 101066. PMID 34384781 DOI: 10.1016/j.jbc.2021.101066   
2021 Tosstorff A, Cole JC, Bartelt R, Kuhn B. Augmenting structure-based design with experimental protein-ligand interaction data: molecular recognition, interactive visualization and rescoring. Chemmedchem. PMID 34342128 DOI: 10.1002/cmdc.202100387   
2021 Li Q, Kang C. Structure and Dynamics of Zika Virus Protease and Its Insights into Inhibitor Design. Biomedicines. 9. PMID 34440248 DOI: 10.3390/biomedicines9081044   
2021 Ayyamperumal S, Dj D, Tallapaneni V, Mohan S, S B, Selvaraj J, Joghee NM, Mjn C. Molecular docking analysis of α-Topoisomerase II with δ-Carboline derivatives as potential anticancer agents. Bioinformation. 17: 249-265. PMID 34393444 DOI: 10.6026/97320630017249   
2021 Abdollahi K, Condict L, Hung A, Kasapis S. Binding parameters and molecular dynamics of β-lactoglobulin-vanillic acid complexation as a function of pH - part B: Neutral pH. Food Chemistry. 367: 130655. PMID 34371277 DOI: 10.1016/j.foodchem.2021.130655   
2021 Kamenik AS, Singh I, Lak P, Balius TE, Liedl KR, Shoichet BK. Energy penalties enhance flexible receptor docking in a model cavity. Proceedings of the National Academy of Sciences of the United States of America. 118. PMID 34475217 DOI: 10.1073/pnas.2106195118   
2021 Li N, Wang W, Zeng X, Liu M, Li M, Li C, Wang M. Crystal structure of glutamate dehydrogenase 3 from Candida albicans. Biochemical and Biophysical Research Communications. 570: 15-20. PMID 34271431 DOI: 10.1016/j.bbrc.2021.07.014   
2021 Jedhe GS, Arora PS. Hydrogen bond surrogate helices as minimal mimics of protein α-helices. Methods in Enzymology. 656: 1-25. PMID 34325784 DOI: 10.1016/bs.mie.2021.04.007   
2021 Seong K, Krasileva K. Computational structural genomics unravels common folds and novel families in the secretome of fungal phytopathogen . Molecular Plant-Microbe Interactions : Mpmi. PMID 34415195 DOI: 10.1094/MPMI-03-21-0071-R   
2021 Bie LH, Fei JW, Gao J. Molecular mechanism of methyl-dependent and spatial-specific DNA recognition of c-Jun homodimer. Journal of Molecular Modeling. 27: 227. PMID 34264385 DOI: 10.1007/s00894-021-04840-y   
2021 Jia Q, Zeng H, Zhang J, Gao S, Xiao N, Tang J, Dong X, Xie W. The Crystal Structure of the Chemosensory Protein CSP8. Insects. 12. PMID 34357261 DOI: 10.3390/insects12070602   
2021 Hirano Y, Okimoto N, Fujita S, Taiji M. Molecular Dynamics Study of Conformational Changes of Tankyrase 2 Binding Subsites upon Ligand Binding. Acs Omega. 6: 17609-17620. PMID 34278146 DOI: 10.1021/acsomega.1c02159   
2021 Ali MS, Rehman MT, Al-Lohedan HA, AlAjmi MF. Exploration of the binding between cuminol and bovine serum albumin through spectroscopic, molecular docking and molecular dynamics methods. Journal of Biomolecular Structure & Dynamics. 1-9. PMID 34488560 DOI: 10.1080/07391102.2021.1971560   
2021 Peterson TA, Piper RC. Deconvolution of Multiple Rab Binding Domains Using the Batch Yeast 2-Hybrid Method DEEPN. Methods in Molecular Biology (Clifton, N.J.). 2293: 117-141. PMID 34453714 DOI: 10.1007/978-1-0716-1346-7_9   
2021 Wallerstein J, Ekberg V, Ignjatović MM, Kumar R, Caldararu O, Peterson K, Wernersson S, Brath U, Leffler H, Oksanen E, Logan DT, Nilsson UJ, Ryde U, Akke M. Entropy-Entropy Compensation between the Protein, Ligand, and Solvent Degrees of Freedom Fine-Tunes Affinity in Ligand Binding to Galectin-3C. Jacs Au. 1: 484-500. PMID 34467311 DOI: 10.1021/jacsau.0c00094   
2021 Nakamura T, Yokaichiya T, Fedorov DG. Quantum-Mechanical Structure Optimization of Protein Crystals and Analysis of Interactions in Periodic Systems. The Journal of Physical Chemistry Letters. 8757-8762. PMID 34478310 DOI: 10.1021/acs.jpclett.1c02510   
2021 Li X, Li X, Liu F, Li S, Shi D. Rational Multitargeted Drug Design Strategy from the Perspective of a Medicinal Chemist. Journal of Medicinal Chemistry. PMID 34313432 DOI: 10.1021/acs.jmedchem.1c00683   
2021 Akaki T, Bessho Y, Ito T, Fujioka S, Ubukata M, Mori G, Yamanaka K, Orita T, Doi S, Iwanaga T, Ikegashira K, Hantani Y, Nakanishi I, Adachi T. Fragment-based lead discovery to identify novel inhibitors that target the ATP binding site of pyruvate dehydrogenase kinases. Bioorganic & Medicinal Chemistry. 44: 116283. PMID 34274549 DOI: 10.1016/j.bmc.2021.116283   
2021 Xue J, Han Y, Baniasadi H, Zeng W, Pei J, Grishin NV, Wang J, Tu BP, Jiang Y. TMEM120A is a coenzyme A-binding membrane protein with structural similarities to ELOVL fatty acid elongase. Elife. 10. PMID 34374645 DOI: 10.7554/eLife.71220   
2021 Dubrow A, Kim I, Topo E, Cho JH. Understanding the Binding Transition State After the Conformational Selection Step: The Second Half of the Molecular Recognition Process Between NS1 of the 1918 Influenza Virus and Host p85β. Frontiers in Molecular Biosciences. 8: 716477. PMID 34307465 DOI: 10.3389/fmolb.2021.716477