Search Results - "Over, Björn"

Impact of Dynamically Exposed Polarity on Permeability and Solubility of Chameleonic Drugs Beyond the Rule of 5 by Rossi Sebastiano, Matteo, Doak, Bradley C, Backlund, Maria, Poongavanam, Vasanthanathan, Over, Björn, Ermondi, Giuseppe, Caron, Giulia, Matsson, Pär, Kihlberg, Jan

“…Conformational flexibility has been proposed to significantly affect drug properties outside rule-of-5 (Ro5) chemical space. Here, we investigated the…”
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Cell permeability beyond the rule of 5 by Matsson, Pär, Doak, Bradley C., Over, Björn, Kihlberg, Jan

“…Drug discovery for difficult targets that have large and flat binding sites is often better suited to compounds beyond the “rule of 5” (bRo5). However, such…”
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Natural-product-derived fragments for fragment-based ligand discovery by Over, Björn, Wetzel, Stefan, Grütter, Christian, Nakai, Yasushi, Renner, Steffen, Rauh, Daniel, Waldmann, Herbert

“…Fragment-based ligand and drug discovery predominantly employs sp 2 -rich compounds covering well-explored regions of chemical space. Despite the ease with…”
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Impact of Stereospecific Intramolecular Hydrogen Bonding on Cell Permeability and Physicochemical Properties by Over, Björn, McCarren, Patrick, Artursson, Per, Foley, Michael, Giordanetto, Fabrizio, Grönberg, Gunnar, Hilgendorf, Constanze, Lee, Maurice D, Matsson, Pär, Muncipinto, Giovanni, Pellisson, Mélanie, Perry, Matthew W. D, Svensson, Richard, Duvall, Jeremy R, Kihlberg, Jan

“…Profiling of eight stereoisomeric T. cruzi growth inhibitors revealed vastly different in vitro properties such as solubility, lipophilicity, pK a, and cell…”
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Identification and further development of thiazolidinones spiro-fused to indolin-2-ones as potent and selective inhibitors of Mycobacterium tuberculosis protein tyrosine phosphatase B by Vintonyak, Viktor V., Warburg, Karin, Over, Björn, Hübel, Katja, Rauh, Daniel, Waldmann, Herbert

“…Tuberculosis continues to be a major cause of morbidity and mortality throughout the world. Protein tyrosine phosphatases from Mycobacterium tuberculosis are…”
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Oral Druggable Space beyond the Rule of 5: Insights from Drugs and Clinical Candidates by Doak, Bradley Croy, Over, Bjӧrn, Giordanetto, Fabrizio, Kihlberg, Jan

“…The rule of 5 (Ro5) is a set of in silico guidelines applied to drug discovery to prioritize compounds with an increased likelihood of high oral absorption. It…”
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Mining Natural Products for Macrocycles to Drug Difficult Targets by Begnini, Fabio, Poongavanam, Vasanthanathan, Over, Björn, Castaldo, Marie, Geschwindner, Stefan, Johansson, Patrik, Tyagi, Mohit, Tyrchan, Christian, Wissler, Lisa, Sjö, Peter, Schiesser, Stefan, Kihlberg, Jan

“…Lead generation for difficult-to-drug targets that have large, featureless, and highly lipophilic or highly polar and/or flexible binding sites is highly…”
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Structural and conformational determinants of macrocycle cell permeability by Over, Björn, Matsson, Pär, Tyrchan, Christian, Artursson, Per, Doak, Bradley C, Foley, Michael A, Hilgendorf, Constanze, Johnston, Stephen E, Lee, Maurice D, Lewis, Richard J, McCarren, Patrick, Muncipinto, Giovanni, Norinder, Ulf, Perry, Matthew W D, Duvall, Jeremy R, Kihlberg, Jan

“…Detailed computational and structural analysis of a large data set of non-peptidic macrocycles revealed particular functional groups, substituents and…”
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Erratum: Structural and conformational determinants of macrocycle cell permeability by Over, Björn, Matsson, Pär, Tyrchan, Christian, Artursson, Per, Doak, Bradley C, Foley, Michael A, Hilgendorf, Constanze, Johnston, Stephen E, Lee, Maurice D, Lewis, Richard J, McCarren, Patrick, Muncipinto, Giovanni, Norinder, Ulf, Perry, Matthew W D, Duvall, Jeremy R, Kihlberg, Jan

“…Nat. Chem. Biol. 12, 1065–1074 (2016); published online 17 October 2016; corrected after print 15 May 2017 In the version of this article initially published,…”
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Fragment-Based Lead Discovery: Screening and Optimizing Fragments for Thermolysin Inhibition by Englert, Lisa, Silber, Katrin, Steuber, Holger, Brass, Sascha, Over, Björn, Gerber, Hans-Dieter, Heine, Andreas, Diederich, Wibke E., Klebe, Gerhard

“…Fragment‐based drug discovery has gained a foothold in today's lead identification processes. We present the application of in silico fragment‐based screening…”
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Psychological Stress and Atopic Dermatitis: A Focus Group Study by Louise Lönndahl, Saly Abdelhadi, Mikael Holst, Sol-britt Lonne-rahm, Klas Nordlind, Björn Johansson

“…Background: Atopic dermatitis (AD) is a chronic inflammatory skin disorder. It is often reported to be worsened by psychological stress. Objective: To explore…”
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Geostationary Satellite Station Keeping Robustness to Loss of Ground Control by Woo, Hyung Je, Buckwalter, Bjorn

“…For the vast majority of geostationary satellites currently in orbit, station keeping activities including orbit determination and maneuver planning and…”
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East Asia`s Power Shift: The Flaws and Hazards of the Debate and How to Avoid Them by Linus Hagstrom, Bjorn Jerden

“…The widespread debate on an East Asian power shift is generally based on the crude notion that power and capability are interchangeable. We critique this view…”
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Nonfatal Occupational Injuries in Norwegian Farmers by Svendsen, Kristin, Aas, Oddfrid, Hilt, Bjorn

“…Background: Agriculture ranks among the most dangerous trades worldwide. There is, however, still a lack of knowledge on nonfatal injuries in agriculture. The…”
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A RANS modelling approach for predicting powering performance of ships in waves by Winden, Bjorn, Turnock, Stephen, Hudson, Dominic

“…In this paper, a modelling technique for simulating self-propelled ships in waves is presented. The flow is modelled using a RANS solver coupled with an…”
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Evaluation of Non-Watertight Dural Reconstruction with Collagen Matrix Onlay Graft in Posterior Fossa Surgery by Kshettry, Varun R, Lobo, Bjorn, Lim, Joshua, Sade, Burak, Oya, Soichi, Lee, Joung H

“…Objective : Many surgeons advocate for watertight dural reconstruction after posterior fossa surgery given the significant risk of cerebrospinal fluid (CSF)…”
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Occurrence of Cognitive and Neurological Symptoms in Norwegian Dentists by Hilt, Bjorn, Svendsen, Kristin, Syversen, Tore, Aas, Oddfrid, Qvenild, Torgunn

“…Objectives: Previous investigations have presented some evidence of late cognitive effects in dental personnel exposed to metallic mercury. We wanted to…”
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Enhancements of the Modified PCF in IEEE 802.11 WLANs by Kanjanavapastit Apichan, Landfeldt Bjorn

“…The success of the IEEE 802.11 standard has prompted research into efficiency of the different medium access methods and their support for different traffic…”
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Qualitative and quantitative evaluation of root injury risk potentially burdening insertion of miniscrew implants by Antoszewska, Joanna, Trzesniewska, Paulina, Kawala, Beata, Ludwig, Bjorn, Park, Hyo-Sang

“…Objective: Microscrew implants (MSls) offer many advantages, but some complications are known to occur during their insertion. One of the most commonly…”
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