日期:
2020 年 — 2026 年
2020
2021
2022
2023
2024
2025
2026
影响因子:

Multiparameter optimization in CNS drug discovery: design of pyrimido[4,5-d]azepines as potent 5-hydroxytryptamine 2C (5-HT₂C) receptor agonists with exquisite functional selectivity over 5-HT₂A and 5-HT₂B receptors

中枢神经系统药物发现中的多参数优化:设计嘧啶并[4,5-d]氮杂卓类药物作为有效的 5-羟色胺 2C (5-HT₂C) 受体激动剂,对 5-HT₂A 和 5-HT₂B 受体具有精确的功能选择性

R Ian Storer, Paul E Brennan, Alan D Brown, Peter J Bungay, Kelly M Conlon, Matthew S Corbett, Robert P DePianta, Paul V Fish, Alexander Heifetz, Danny K H Ho, Alan S Jessiman, Gordon McMurray, Cesar Augusto F de Oliveira, Lee R Roberts, James A Root, Veerabahu Shanmugasundaram, Michael J Shapiro, M

w-REXAMD: A Hamiltonian Replica Exchange Approach to Improve Free Energy Calculations for Systems with Kinetically Trapped Conformations

w-REXAMD:一种用于改进动力学束缚构象体系自由能计算的哈密顿量副本交换方法

Arrar, Mehrnoosh; de Oliveira, Cesar Augusto F; Fajer, Mikolai; Sinko, William; McCammon, J Andrew

Substrate-dependent dynamics of UDP-galactopyranose mutase: Implications for drug design

UDP-半乳糖吡喃糖变位酶的底物依赖性动力学:对药物设计的启示

Boechi, Leonardo; de Oliveira, Cesar Augusto F; Da Fonseca, Isabel; Kizjakina, Karina; Sobrado, Pablo; Tanner, John J; McCammon, J Andrew

Drug hypersensitivity caused by alteration of the MHC-presented self-peptide repertoire

由MHC呈递的自身肽库改变引起的药物超敏反应

Ostrov, David A; Grant, Barry J; Pompeu, Yuri A; Sidney, John; Harndahl, Mikkel; Southwood, Scott; Oseroff, Carla; Lu, Shun; Jakoncic, Jean; de Oliveira, Cesar Augusto F; Yang, Lun; Mei, Hu; Shi, Leming; Shabanowitz, Jeffrey; English, A Michelle; Wriston, Amanda; Lucas, Andrew; Phillips, Elizabeth; Mallal, Simon; Grey, Howard M; Sette, Alessandro; Hunt, Donald F; Buus, Soren; Peters, Bjoern