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[热点] 2024 - Chemistry and Pharmacology of Drug Discovery asymmsyn 2026-01-19 刚刚
[LAMMPS/ ] [已完结]刚做分子模拟的研究,求大神帮忙下! (评阅+1) (0/957) aa2349439 2014-03-18 2014-03-18 14:33:44 by aa2349439
[Gromacs ] [已完结]Cα atomic dynamical cross-correlation matrix map是什么? (评阅+1) (0/883) lmyiop 2014-03-18 2014-03-18 13:46:26 by lmyiop
[MS] [已完结]amber 新手求教... (1/495) 林间笑客 2014-03-17 2014-03-18 12:56:08 by smutao
[DS/Syby ] [已完结]sybyl中的蛋白质准备该如何准备? (评阅+1) (1/733) 老曼7 2014-03-17 2014-03-18 12:55:00 by smutao
[MS] [已完结]Castep Forcite 表面能计算 (评阅+1) (0/868) 352346571 2014-03-17 2014-03-17 23:26:06 by 352346571
[DS/Syby ] [已完结]sybyl x对接老是出现Specified output directory already exisit 怎么处理? (评阅+1) (0/421) 张路秀 2014-03-17 2014-03-17 16:36:47 by 张路秀
[MS] [已完结]MS7.0的Tutorials打不开 (评阅+1) (0/518) wungung 2014-03-17 2014-03-17 14:51:26 by wungung
[其他] [已完结]求读取PDB文件的C语言程序 (评阅+1) (6/2104) moye1991 2014-03-13 2014-03-17 12:01:38 by fangsteel
[Gromacs ] [已完结]gromacs 模拟出现周期性问题 (评阅+2) (6/2186) cplove 2013-12-01 2014-03-17 11:26:24 by jiaoyixiong
[Monte C ] [已完结]MOF中用MC算出了loading 怎样转变成mmol/g呢? (评阅+1) (0/242) linbin1990 2014-03-17 2014-03-17 10:17:03 by linbin1990
[Gromacs ] [已完结]Amber中NVT、NPT、NVE中的参数设置问题 (评阅+2) (2/2058) luckboylys 2014-03-12 2014-03-17 10:08:48 by luckboylys
[Gromacs ] [已完结]关于gromacs续跑连接文件的问题 (评阅+2) (5/1855) moye1991 2014-03-10 2014-03-17 09:58:19 by moye1991
[Gromacs ] [已完结]Gromacs能量最小化问题 (评阅+1) (5/3657) wjf12 2014-03-11 2014-03-16 21:51:04 by wjf12
[专家会诊] [已完结]caver问题 (评阅+1) (3/1208) 3115321 2014-02-10 2014-03-16 19:45:18 by smutao
[资源] [已完结]手性分子形成过程模拟该用哪种模拟软件呢 (评阅+1) (3/905) yinan63 2014-03-15 2014-03-16 11:18:02 by yalefield
[Gromacs ] [已完结]Gromacs中的hydrogen bond life time 是什么意思 (评阅+1) (0/338) lmyiop 2014-03-16 2014-03-16 10:25:57 by lmyiop
[其他] [已完结][关贴]计算溶剂化效应时,如果用SMD模型,该怎么编写关键词呢 (评阅+1) (4/1296) 单骑走千里 2014-03-13 2014-03-16 09:27:52 by 单骑走千里
[MS] [已完结]数据库导出的.mol和.sdf文件,怎么导入到MS中?? (评阅+1) (2/1500) jiafeimao236 2014-03-15 2014-03-16 09:22:56 by jiafeimao236
[其他] [已完结]请问大家知道这个图是怎么画出来的吗?    ( 1 2 ) (评阅+1) (17/3238) 赵硕 2014-01-15 2014-03-16 01:22:37 by 小黑妞111
[专家会诊] [已完结]MD软件如何选择?小分子结构计算,需要考虑水环境和金属离子的配位作用! (评阅+1) (4/846) muyunlvyi 2014-03-12 2014-03-15 20:13:54 by 黄金比例
[MS] [已完结]material studio-homopolymer (评阅+1) (7/1784) AA小小木虫 2014-03-15 2014-03-15 18:56:32 by AA小小木虫
[MS] [已完结]请问一下大家,用MS如何构建下面图中的结构呢? (评阅+1) (2/1198) xchz325 2014-03-14 2014-03-15 09:49:19 by xchz325
[其他] [已完结]分子自组装模拟用哪种模拟软件 (评阅+1) (1/405) yinan63 2014-03-14 2014-03-14 16:49:06 by smutao
[专家会诊] [已完结]Materials-Explorer 5.0安装缺少matx.ini文件怎么办? (评阅+1) (0/610) muyunlvyi 2014-03-14 2014-03-14 12:44:02 by muyunlvyi
[MS] [已完结]再求助 (评阅+1) (1/265) jmysccw 2014-03-14 2014-03-14 10:55:46 by huachao90
[Gromacs ] [已完结]gromacs 复合物小分子的处理 (评阅+1) (2/814) anyachan 2014-02-28 2014-03-14 10:41:48 by xueer小雯
[MS] [已完结]文献求助 (1/233) 敏sunflower 2014-03-13 2014-03-14 09:23:32 by liebegll
[MS] [已完结]Forcite 弛豫 (评阅+1) (6/2652) 352346571 2014-03-11 2014-03-14 00:24:45 by huachao90
[专家会诊] [已完结]autodock安装出现问题,恳请各位大神指点! (评阅+1) (2/670) muyunlvyi 2014-03-13 2014-03-13 21:16:48 by muyunlvyi
[MS] [已完结]建模求助 (评阅+1) (1/282) wxhhappy 2014-03-13 2014-03-13 14:41:38 by hanhan1020
[MS] [已完结]急!聚苯乙烯中主链上H原子的选取分析均方位移 (评阅+1) (0/217) ammytao 2014-03-13 2014-03-13 14:31:16 by ammytao
[其他] [已完结]我有sdf和mol2文件,请问在什么网站里可以生成PDB格式文件 (评阅+1) (6/3389) M1ngq 2014-03-10 2014-03-13 11:23:39 by 姜志文
[资源] [已完结]购买试剂的网址大全 (评阅+1) (0/559) xiaoyu0127 2014-03-13 2014-03-13 09:43:09 by xiaoyu0127
[专家会诊] [已完结]求助:如何预测一个有机分子和金属离子的配位形态! (评阅+1) (4/972) muyunlvyi 2014-03-10 2014-03-13 08:56:53 by muyunlvyi
[其他] [已完结]VMD可视化键 (评阅+1) (3/2741) WJ-MS 2014-03-12 2014-03-12 22:56:40 by egogg
[LAMMPS/ ] [已完结]data文件含义 (评阅+6) (1/688) wistariaing 2014-03-12 2014-03-12 18:21:57 by huachao90
[Gromacs ] [已完结]R程序和Bion3D (评阅+6) (0/230) 筱婧子儿 2014-03-12 2014-03-12 15:24:49 by 筱婧子儿
[DS/Syby ] [已完结]请问如何获取小分子的pdb文件    ( 1 2 ) (评阅+1) (13/4769) hzdtctc 2013-09-22 2014-03-12 14:02:44 by wukezhu
[MS] [已完结][关贴]如何算界面的模量,用ms中的分子动力学模拟 (评阅+1) (0/378) hanhan1020 2014-03-12 2014-03-12 11:30:51 by hanhan1020
[MS] [已完结]build-bonds (评阅+1) (0/514) 352346571 2014-03-12 2014-03-12 11:19:43 by 352346571
[MS] [已完结]MS能模拟非平衡分子动力学吗? (评阅+1) (1/535) suihg 2014-03-10 2014-03-12 11:09:16 by suihg
[MS] [已完结]求助material studio计算机配置 (评阅+1) (1/3495) jmysccw 2014-03-12 2014-03-12 11:07:30 by hanhan1020
[其他] [已完结]GOLD对接结果中出现了其他的小分子 (评阅+1) (0/340) 飘落的丘陵 2014-03-12 2014-03-12 09:15:50 by 飘落的丘陵
[DS/Syby ] [已完结]请教导入.mol格式文件的问题 (评阅+1) (3/724) paul34 2014-02-07 2014-03-12 08:18:57 by paul34
[MS] [已完结]MS建模问题求助    ( 1 2 ) (13/2821) sailoryh 2012-10-23 2014-03-12 07:36:12 by 杨韫13
[LAMMPS/ ] [已完结]硅纳米管在MS中的discover模块进行不同温度下的动力学分析 和 在lammps下的计算 (评阅+6) (3/903) fqwacf 2014-03-10 2014-03-12 00:13:21 by huachao90
[MS] [已完结]MS初学者几个问题,望大神帮忙解决 (评阅+1) (4/1129) 心雨轩 2014-03-11 2014-03-12 00:04:09 by huachao90
[Hyperch ] [已完结]请问大家这个图是怎么画出来的? (评阅+2) (3/818) xueshanfei 2014-03-11 2014-03-12 00:01:50 by huachao90
[其他] [已完结][关贴]初学NAMD,泛素模拟,求指教 (评阅+1) (2/298) 神秘星球 2014-03-10 2014-03-11 22:53:12 by 神秘星球
[Gromacs ] [已完结]gromacs数据分析 (评阅+6) (0/823) wukezhu 2014-03-11 2014-03-11 22:19:49 by wukezhu
[资源] [已完结]求助schrodinger安装软件 (评阅+1) (0/767) autumns3 2014-03-11 2014-03-11 21:15:57 by autumns3
[LAMMPS/ ] [已完结]ms建模指定力场导入lammps后是否需要引入势函数 (评阅+1) (3/2453) wangyisheng 2013-12-18 2014-03-11 21:07:11 by huachao90
[MS] [已完结]关于包含吸附和覆盖度的投稿 (评阅+1) (0/318) tacktwo 2014-03-11 2014-03-11 18:24:08 by tacktwo
[Gromacs ] [已完结]关于PMF,伞形抽样,WHAM (评阅+1) (1/5279) haoguoyu 2014-03-11 2014-03-11 17:17:30 by jiaoyixiong
[LAMMPS/ ] [已完结]关于mpd is disappeared的问题。 (评阅+1) (1/543) hf8450 2014-03-11 2014-03-11 16:17:16 by hf8450
[DS/Syby ] [已完结]用autodock对接,用什么软件定点突变蛋白质    ( 1 2 ) (评阅+1) (14/4871) s1g2k3 2013-10-10 2014-03-11 15:54:50 by 1054950560
[MS] [已完结][关贴]安装MS时出现如下图的提示该怎么办? (评阅+1) (4/526) dongdongxia 2014-03-07 2014-03-11 15:07:12 by dongdongxia
[DS/Syby ] [已完结]用DS对含有非氨基酸结构的蛋白进行建模 (评阅+1) (4/649) dingding9631 2014-01-04 2014-03-11 14:11:52 by monsoncupid
[LAMMPS/ ] [已完结]Lammps中如何添加新的势函数 (评阅+1) (1/2168) xueyiran2007 2014-03-11 2014-03-11 13:14:44 by lsloneil
[DS/Syby ] [已完结][关贴]请问:Autodock计算导出的小分子结构/构象有问题,如下图,请问如何解决! (评阅+1) (2/622) supengchen 2014-03-11 2014-03-11 10:09:50 by supengchen
[MS] [已完结]水分子模型问题    ( 1 2 ) (评阅+1) (12/2365) magaohong 2013-10-14 2014-03-10 22:38:15 by huachao90
[DS/Syby ] [已完结]什么情况,未进入结合腔?怎么办? (评阅+1) (5/619) 123456qi 2014-03-09 2014-03-10 21:45:19 by 123456qi
[DS/Syby ] [已完结]ds做虚拟组合库设计 (评阅+1) (1/422) 倩430 2014-03-09 2014-03-10 17:20:42 by 倩430
[LAMMPS/ ] [已完结]为什么data文件中的mass一项为0 (评阅+6) (0/427) wistariaing 2014-03-10 2014-03-10 13:16:20 by wistariaing
[资源] [已完结][关贴]溶剂化效应好的方法,除了高斯例子中的SCRF (1/583) 单骑走千里 2014-03-10 2014-03-10 12:52:35 by 单骑走千里
[MS] [已完结]用MS中的DPD建模 (评阅+1) (1/637) 纤纤物 2014-03-10 2014-03-10 10:52:56 by 纤纤物
[LAMMPS/ ] [已完结]TIP4P模型下设置pppm问题 (评阅+2) (1/1053) zzy870720z 2014-03-07 2014-03-10 10:19:42 by truemantwo
[MS] [已完结]关于金属氧化物或者非金属模拟时候的键的问题 (评阅+1) (4/838) Zr891002 2014-03-05 2014-03-10 08:23:05 by Zr891002
[MS] [已完结]带电体系动力学模拟 (7/1403) yida 2013-07-01 2014-03-10 05:25:45 by yida
[LAMMPS/ ] [已完结]求助各位大神,关于Wiedemann–Franz law (评阅+2) (3/1334) 前田庆次 2014-02-20 2014-03-09 18:53:30 by 前田庆次
[MS] [已完结]Materials Studio进行CASTEP Calculation时有问题 (评阅+6) (0/1298) 撑伞的叶片 2014-03-09 2014-03-09 17:19:15 by 撑伞的叶片
[DS/Syby ] [已完结]请问大牛们,SYBYL可计算TOXIC,LIPINSKI RULE以及pharmacophore吗??? (1/502) chentg 2011-09-04 2014-03-09 16:28:02 by junjun0711
[Gromacs ] [已完结]gromacs蛋白模拟报错,,,求指导啊 (2/730) 870277182 2014-03-08 2014-03-09 10:17:02 by 旺仔小馒头01
[Gromacs ] [已完结]VMD求助 (评阅+1) (3/484) 彬哥 2014-03-03 2014-03-09 08:18:35 by 彬哥
[LAMMPS/ ] [已完结]硅纳米管用lammps做拉伸 (评阅+1) (3/1634) fqwacf 2014-03-08 2014-03-09 08:17:49 by zhang53201
[LAMMPS/ ] [已完结]弛豫和键长的问题 (评阅+1) (4/821) fqwacf 2014-03-08 2014-03-09 08:16:31 by zhang53201
[专家会诊] [已完结][关贴]求接触角计算程序(c语言,matlab语言,tcl脚本都可) (评阅+1) (1/1838) 我的如意狼君 2014-03-05 2014-03-09 00:03:15 by jerkwin
[Gromacs ] [已完结]topol文件不识别小分子 (8/2756) 蓝紫色玻璃心 2011-12-05 2014-03-08 10:48:51 by fangsteel
[MS] [已完结]PBS脚本的编写问题    ( 1 2 ) (评阅+6) (15/1706) fanghongmei 2014-03-04 2014-03-08 09:12:24 by fanghongmei
[MS] [已完结][关贴]material studio 安装问题 (评阅+1) (3/994) AA小小木虫 2014-03-07 2014-03-08 08:41:17 by 10132223
[其他] [已完结][关贴]aspen安装出问题了求高手解决 (评阅+1) (3/766) fenglicai 2014-03-06 2014-03-07 17:58:40 by fenglicai
[MS] [已完结]重复单元首尾原子怎么确定 (评阅+1) (9/2035) 873051305 2014-03-04 2014-03-07 09:28:33 by 10132223
[MS] [已完结]GCMC模拟,分子文件制作方法求助!!都来看一下吧! (评阅+1) (0/3338) ganggang2007 2014-03-06 2014-03-06 22:08:27 by ganggang2007
[MS] [已完结]建模过程中老出错,求原因 (评阅+1) (6/883) 873051305 2014-03-05 2014-03-06 19:22:28 by sciencejoy
[MS] [已完结]求助四乙基溴化铵分子物性 (评阅+1) (6/1288) liqianmelody 2013-12-09 2014-03-06 17:00:28 by tdl522
[DS/Syby ] [已完结]autodock对接时受体输入后配体为什么输不进去 (评阅+6) (0/309) 柯艳萍 2014-03-06 2014-03-06 16:06:34 by 柯艳萍
[LAMMPS/ ] [已完结]有没有用 lj势函数 模拟lammps的朋友? (评阅+1) (6/2490) wangyisheng 2014-03-05 2014-03-06 15:36:28 by wangyisheng
[LAMMPS/ ] [已完结]EAM势函数格式drho和dr如何取? (评阅+1) (0/1232) wangyisheng 2014-03-06 2014-03-06 15:15:31 by wangyisheng
[MS] [已完结]用MS的gulp模块模拟Mo-5W在Zn中的扩散,建模有障碍啊~~~ (评阅+1) (1/388) ytudou 2014-02-25 2014-03-06 15:12:56 by ytudou
[MS] [已完结]求介绍MS分子模拟操作书籍 (评阅+1) (3/2089) 故事是这样的 2014-02-21 2014-03-06 15:04:46 by zhaohaohan
[LAMMPS/ ] [已完结]Lost atoms (评阅+1) (3/2200) 心转角 2014-03-02 2014-03-06 13:46:05 by zhang53201
[其他] [已完结]IFCA到底是个什么程序 (评阅+1) (0/316) chunxiang 2014-03-06 2014-03-06 10:47:41 by chunxiang
[其他] [已完结]SYBYL7.3中hint模块的使用 (评阅+6) (0/221) 刘艳红1989 2014-03-05 2014-03-05 15:52:49 by 刘艳红1989
[Gromacs ] [已完结]amber里跑自由能曲线 提交pmf.x文件后的问题 (评阅+1) (0/967) lifeisall 2014-03-05 2014-03-05 09:54:16 by lifeisall
[DS/Syby ] [已完结]妹子是autodock的新手,向高手请教。 (评阅+1) (2/797) junjun0711 2014-03-04 2014-03-05 09:07:53 by junjun0711
[LAMMPS/ ] [已完结]lammps 中dump_image命令运用 (评阅+1) (2/839) LM王甜 2014-03-04 2014-03-05 08:55:03 by LM王甜
[MS] [已完结]分子模拟 (评阅+1) (2/409) hewensen 2014-03-03 2014-03-05 08:42:48 by yilanding
[MS] [已完结]新手上路,sorption一个小问题 (评阅+1) (4/560) 故事是这样的 2014-03-03 2014-03-05 08:33:02 by ghcacj
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